 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer12_STD_LCPBE_augccpVDZ.in
 Output=26_junionone_conformer12_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-238796.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    238808.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=26_junionone_conformer12_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=030000000
 0,3/108=0300000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=300000000,108=300000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:24:18 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "26_junionone_conformer12_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.485536000000     -1.394131000000      1.201364000000
  C                                                 1.966773000000     -0.392200000000      0.165915000000
  C                                                 0.868394000000      0.353659000000     -0.698378000000
  C                                                -0.497714000000      0.352190000000     -0.124912000000
  C                                                -1.585230000000     -0.118716000000     -0.740357000000
  C                                                -2.947927000000     -0.130962000000     -0.173989000000
  O                                                -3.869650000000     -0.592319000000     -0.821022000000
  C                                                 3.006329000000     -1.028151000000     -0.749724000000
  C                                                 2.432922000000      0.991915000000      0.695754000000
  C                                                 1.648186000000      1.678903000000     -0.442484000000
  C                                                -3.180010000000      0.431009000000      1.214107000000
  H                                                 3.509420000000      1.160900000000      0.735423000000
  H                                                 2.013908000000      1.213736000000      1.678261000000
  H                                                 0.832257000000      0.021669000000     -1.736686000000
  H                                                 1.043279000000      2.544670000000     -0.175495000000
  H                                                 2.275831000000      1.947927000000     -1.290478000000
  H                                                 2.329017000000     -1.760136000000      1.792254000000
  H                                                 1.010690000000     -2.255206000000      0.725171000000
  H                                                 0.763959000000     -0.954931000000      1.891159000000
  H                                                 2.586445000000     -1.890920000000     -1.272224000000
  H                                                 3.868238000000     -1.369574000000     -0.171198000000
  H                                                 3.366384000000     -0.323153000000     -1.501537000000
  H                                                -0.599262000000      0.771738000000      0.871956000000
  H                                                -1.515981000000     -0.539617000000     -1.738100000000
  H                                                -2.885796000000      1.481413000000      1.263267000000
  H                                                -2.589096000000     -0.110594000000      1.955779000000
  H                                                -4.235638000000      0.339532000000      1.456836000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:24:18 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519082   0.000000
     3  C    2.654177   1.584217   0.000000
     4  C    2.956675   2.590829   1.481593   0.000000
     5  C    3.850528   3.675983   2.499034   1.335371   0.000000
     6  C    4.810695   4.933362   3.882544   2.497877   1.475759
     7  O    5.780222   5.922662   4.833113   3.570241   2.334391
     8  C    2.500699   1.524305   2.546135   3.817597   4.680766
     9  C    2.616562   1.553640   2.190599   3.109882   4.409247
    10  C    3.488872   2.181998   1.558791   2.542815   3.711488
    11  C    5.009852   5.316555   4.478075   2.998983   2.581753
    12  H    3.292627   2.261906   3.111662   4.177477   5.456263
    13  H    2.703253   2.206455   2.774950   3.209663   4.536401
    14  H    3.326169   2.253509   1.090691   2.115628   2.618515
    15  H    4.195889   3.097516   2.259319   2.680333   3.784409
    16  H    4.243017   2.773588   2.207522   3.405506   4.413778
    17  H    1.092964   2.155794   3.578379   4.015950   4.942642
    18  H    1.092561   2.167407   2.975385   3.129926   3.667583
    19  H    1.090590   2.177130   2.903277   2.713840   3.625303
    20  H    2.752715   2.167579   2.884291   3.982450   4.563602
    21  H    2.749872   2.164365   3.499502   4.693416   5.623958
    22  H    3.462695   2.178090   2.709814   4.157215   5.013948
    23  H    3.024216   2.904786   2.189692   1.086314   2.089161
    24  H    4.287161   3.971974   2.750311   2.105840   1.085101
    25  H    5.232698   5.316205   4.383357   2.984145   2.875134
    26  H    4.338114   4.902944   4.383414   2.986189   2.876971
    27  H    5.983535   6.377445   5.540423   4.058838   3.473084
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216994   0.000000
     8  C    6.048932   6.890147   0.000000
     9  C    5.565145   6.673292   2.549288   0.000000
    10  C    4.946914   5.978984   3.044190   1.543810   0.000000
    11  C    1.515416   2.380032   6.652561   5.664655   5.254808
    12  H    6.647802   7.742543   2.692714   1.090402   2.262738
    13  H    5.464325   6.642628   3.450517   1.090916   2.201748
    14  H    4.093301   4.829426   2.608219   3.069246   2.255465
    15  H    4.805074   5.864663   4.116838   2.258590   1.089380
    16  H    5.732013   6.666346   3.111765   2.209922   1.088764
    17  H    5.862291   6.827626   2.730605   2.964269   4.157472
    18  H    4.581654   5.382715   2.768313   3.545053   4.152955
    19  H    4.326876   5.381240   3.465234   2.829247   3.628337
    20  H    5.910401   6.600842   1.092556   3.493887   3.783178
    21  H    6.927790   7.803929   1.092771   2.896268   3.780931
    22  H    6.455218   7.272946   1.091735   2.725590   2.842890
    23  H    2.724903   3.927119   4.343931   3.045269   2.757122
    24  H    2.159609   2.526572   4.654765   4.884984   4.075832
    25  H    2.160861   3.100418   6.713209   5.371261   4.848256
    26  H    2.159881   3.095562   6.282550   5.293756   5.187343
    27  H    2.130529   2.488158   7.693215   6.743481   6.326193
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.746136   0.000000
    13  H    5.273034   1.768698   0.000000
    14  H    4.997302   3.817902   3.805153   0.000000
    15  H    4.922878   2.970933   2.479903   2.974455   0.000000
    16  H    6.191945   2.499085   3.069373   2.448158   1.765920
    17  H    5.956908   3.323055   2.992692   4.227119   4.904744
    18  H    5.001677   4.232439   3.734754   3.358085   4.883756
    19  H    4.234870   3.653768   2.512133   3.757615   4.073854
    20  H    6.695162   3.767776   4.321117   2.636455   4.822721
    21  H    7.405334   2.711828   3.678659   3.688291   4.827185
    22  H    7.127325   2.688282   3.781843   2.568267   3.921685
    23  H    2.625533   4.129329   2.770225   3.068691   2.634081
    24  H    3.525143   5.853608   5.215926   2.414387   4.301671
    25  H    1.091937   6.424962   4.924527   4.995447   4.317196
    26  H    1.092058   6.348060   4.797761   5.035618   4.978645
    27  H    1.087031   7.821829   6.314276   5.998598   5.949294
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.822426   0.000000
    18  H    4.830088   1.766846   0.000000
    19  H    4.564554   1.762823   1.763837   0.000000
    20  H    3.851436   3.078051   2.570077   3.768889   0.000000
    21  H    3.846344   2.525249   3.123044   3.749906   1.768348
    22  H    2.528172   3.740335   3.773639   4.322285   1.766008
    23  H    3.784931   3.978964   3.431600   2.424568   4.672899
    24  H    4.556981   5.360697   3.923648   4.306058   4.344302
    25  H    5.777685   6.162933   5.425355   4.432915   6.909903
    26  H    6.200259   5.189948   4.367175   3.458332   6.354195
    27  H    7.248027   6.900421   5.898471   5.182687   7.678770
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765405   0.000000
    23  H    5.062800   4.749590   0.000000
    24  H    5.668670   4.892883   3.061441   0.000000
    25  H    7.470127   7.070386   2.425902   3.869000   0.000000
    26  H    6.914205   6.889554   2.431588   3.870449   1.761275
    27  H    8.440636   8.184245   3.708385   4.286847   1.778605
                   26         27
    26  H    0.000000
    27  H    1.778386   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.99D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1948938           0.5074064           0.4967916
 Leave Link  202 at Mon Aug 16 21:24:18 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       610.1943807680 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:24:19 2021, MaxMem=  5637144576 cpu:              11.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.45D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Mon Aug 16 21:24:20 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:24:20 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer12_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:24:21 2021, MaxMem=  5637144576 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636786003 LenY=  5636610001
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -464.412422585352    
 DIIS: error= 2.35D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -464.412422585352     IErMin= 1 ErrMin= 2.35D-03
 ErrMax= 2.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.35D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 GapD=    0.344 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.72D-02 MaxDP=4.56D+00              OVMax= 2.21D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.12D-02    CP:  1.52D+00
 E= -464.424450661634     Delta-E=       -0.012028076282 Rises=F Damp=F
 DIIS: error= 9.79D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -464.424450661634     IErMin= 2 ErrMin= 9.79D-04
 ErrMax= 9.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-03 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.79D-03
 Coeff-Com:  0.101D+00 0.899D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.996D-01 0.900D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=3.77D-03 MaxDP=7.09D-01 DE=-1.20D-02 OVMax= 1.69D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.23D-03    CP:  1.59D+00  1.13D+00
 E= -464.424329623680     Delta-E=        0.000121037954 Rises=F Damp=F
 DIIS: error= 1.19D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -464.424450661634     IErMin= 2 ErrMin= 9.79D-04
 ErrMax= 1.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-03 BMatP= 1.37D-03
 IDIUse=3 WtCom= 2.25D-01 WtEn= 7.75D-01
 Coeff-Com: -0.358D-01 0.553D+00 0.483D+00
 Coeff-En:   0.000D+00 0.524D+00 0.476D+00
 Coeff:     -0.805D-02 0.531D+00 0.478D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.69D-04 MaxDP=1.24D-01 DE= 1.21D-04 OVMax= 8.51D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.78D-04    CP:  1.61D+00  1.15D+00  1.03D+00
 E= -464.425684144265     Delta-E=       -0.001354520585 Rises=F Damp=F
 DIIS: error= 1.43D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -464.425684144265     IErMin= 4 ErrMin= 1.43D-04
 ErrMax= 1.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-05 BMatP= 1.37D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.43D-03
 Coeff-Com: -0.870D-02 0.143D-01 0.104D+00 0.890D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.869D-02 0.143D-01 0.104D+00 0.890D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.57D-04 MaxDP=5.97D-02 DE=-1.35D-03 OVMax= 1.33D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.05D-04    CP:  1.62D+00  1.16D+00  1.12D+00  1.13D+00
 E= -464.425710280298     Delta-E=       -0.000026136033 Rises=F Damp=F
 DIIS: error= 6.83D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -464.425710280298     IErMin= 5 ErrMin= 6.83D-05
 ErrMax= 6.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.25D-06 BMatP= 2.73D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.532D-03-0.683D-01-0.166D-01 0.386D+00 0.698D+00
 Coeff:      0.532D-03-0.683D-01-0.166D-01 0.386D+00 0.698D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=5.79D-05 MaxDP=4.48D-03 DE=-2.61D-05 OVMax= 5.80D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.64D-05    CP:  1.62D+00  1.16D+00  1.16D+00  1.19D+00  1.01D+00
 E= -464.425715188621     Delta-E=       -0.000004908324 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -464.425715188621     IErMin= 6 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-07 BMatP= 4.25D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.837D-03-0.208D-01-0.114D-01 0.514D-01 0.187D+00 0.793D+00
 Coeff:      0.837D-03-0.208D-01-0.114D-01 0.514D-01 0.187D+00 0.793D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.54D-05 MaxDP=1.75D-03 DE=-4.91D-06 OVMax= 3.11D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.08D-05    CP:  1.62D+00  1.16D+00  1.16D+00  1.21D+00  1.09D+00
                    CP:  1.08D+00
 E= -464.425715437009     Delta-E=       -0.000000248388 Rises=F Damp=F
 DIIS: error= 4.82D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -464.425715437009     IErMin= 7 ErrMin= 4.82D-06
 ErrMax= 4.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-08 BMatP= 1.58D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.238D-03 0.155D-02-0.165D-02-0.329D-01-0.267D-01 0.332D+00
 Coeff-Com:  0.727D+00
 Coeff:      0.238D-03 0.155D-02-0.165D-02-0.329D-01-0.267D-01 0.332D+00
 Coeff:      0.727D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.24D-06 MaxDP=1.13D-03 DE=-2.48D-07 OVMax= 9.32D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.34D-06    CP:  1.62D+00  1.16D+00  1.15D+00  1.21D+00  1.10D+00
                    CP:  1.13D+00  1.04D+00
 E= -464.425715494997     Delta-E=       -0.000000057988 Rises=F Damp=F
 DIIS: error= 2.03D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -464.425715494997     IErMin= 8 ErrMin= 2.03D-06
 ErrMax= 2.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-09 BMatP= 4.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.570D-04 0.284D-02 0.119D-02-0.138D-01-0.301D-01-0.987D-02
 Coeff-Com:  0.132D+00 0.918D+00
 Coeff:     -0.570D-04 0.284D-02 0.119D-02-0.138D-01-0.301D-01-0.987D-02
 Coeff:      0.132D+00 0.918D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.68D-06 MaxDP=4.33D-04 DE=-5.80D-08 OVMax= 6.74D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.62D+00  1.16D+00  1.15D+00  1.21D+00  1.10D+00
                    CP:  1.15D+00  1.08D+00  1.11D+00
 E= -464.425715501109     Delta-E=       -0.000000006112 Rises=F Damp=F
 DIIS: error= 6.25D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -464.425715501109     IErMin= 9 ErrMin= 6.25D-07
 ErrMax= 6.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.06D-10 BMatP= 2.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.550D-04 0.104D-02 0.767D-03-0.223D-02-0.102D-01-0.442D-01
 Coeff-Com: -0.499D-01 0.414D+00 0.690D+00
 Coeff:     -0.550D-04 0.104D-02 0.767D-03-0.223D-02-0.102D-01-0.442D-01
 Coeff:     -0.499D-01 0.414D+00 0.690D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=5.47D-07 MaxDP=4.17D-05 DE=-6.11D-09 OVMax= 1.61D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.97D-07    CP:  1.62D+00  1.16D+00  1.15D+00  1.21D+00  1.10D+00
                    CP:  1.14D+00  1.08D+00  1.18D+00  9.94D-01
 E= -464.425715502372     Delta-E=       -0.000000001263 Rises=F Damp=F
 DIIS: error= 1.91D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -464.425715502372     IErMin=10 ErrMin= 1.91D-07
 ErrMax= 1.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-11 BMatP= 8.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.300D-05-0.332D-03-0.692D-04 0.186D-02 0.385D-02 0.564D-03
 Coeff-Com: -0.326D-01-0.820D-01 0.196D-01 0.109D+01
 Coeff:      0.300D-05-0.332D-03-0.692D-04 0.186D-02 0.385D-02 0.564D-03
 Coeff:     -0.326D-01-0.820D-01 0.196D-01 0.109D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=5.26D-07 MaxDP=8.85D-05 DE=-1.26D-09 OVMax= 9.62D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.60D-07    CP:  1.62D+00  1.16D+00  1.15D+00  1.21D+00  1.10D+00
                    CP:  1.14D+00  1.07D+00  1.20D+00  1.05D+00  1.21D+00
 E= -464.425715502424     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 5.95D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -464.425715502424     IErMin=11 ErrMin= 5.95D-08
 ErrMax= 5.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-12 BMatP= 3.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.393D-05-0.116D-03-0.509D-04 0.444D-03 0.119D-02 0.289D-02
 Coeff-Com: -0.491D-02-0.315D-01-0.404D-01 0.186D+00 0.886D+00
 Coeff:      0.393D-05-0.116D-03-0.509D-04 0.444D-03 0.119D-02 0.289D-02
 Coeff:     -0.491D-02-0.315D-01-0.404D-01 0.186D+00 0.886D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.32D-08 MaxDP=5.55D-06 DE=-5.23D-11 OVMax= 1.43D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.68D-08    CP:  1.62D+00  1.16D+00  1.15D+00  1.21D+00  1.10D+00
                    CP:  1.14D+00  1.07D+00  1.19D+00  1.05D+00  1.28D+00
                    CP:  1.19D+00
 E= -464.425715502476     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 1.47D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -464.425715502476     IErMin=12 ErrMin= 1.47D-08
 ErrMax= 1.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-13 BMatP= 2.69D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.469D-06 0.110D-04-0.259D-05-0.117D-03-0.182D-03 0.802D-03
 Coeff-Com:  0.217D-02 0.344D-02-0.153D-01-0.865D-01 0.250D+00 0.845D+00
 Coeff:      0.469D-06 0.110D-04-0.259D-05-0.117D-03-0.182D-03 0.802D-03
 Coeff:      0.217D-02 0.344D-02-0.153D-01-0.865D-01 0.250D+00 0.845D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.41D-08 MaxDP=1.14D-06 DE=-5.16D-11 OVMax= 4.93D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  1.62D+00  1.16D+00  1.15D+00  1.21D+00  1.10D+00
                    CP:  1.14D+00  1.07D+00  1.19D+00  1.05D+00  1.30D+00
                    CP:  1.28D+00  1.11D+00
 E= -464.425715502489     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 4.84D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -464.425715502489     IErMin=13 ErrMin= 4.84D-09
 ErrMax= 4.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-14 BMatP= 4.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.228D-06 0.140D-04 0.450D-05-0.746D-04-0.166D-03-0.307D-04
 Coeff-Com:  0.973D-03 0.432D-02-0.112D-02-0.422D-01-0.132D-01 0.237D+00
 Coeff-Com:  0.815D+00
 Coeff:     -0.228D-06 0.140D-04 0.450D-05-0.746D-04-0.166D-03-0.307D-04
 Coeff:      0.973D-03 0.432D-02-0.112D-02-0.422D-01-0.132D-01 0.237D+00
 Coeff:      0.815D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.70D-09 MaxDP=8.58D-07 DE=-1.34D-11 OVMax= 1.16D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -464.425715502     A.U. after   13 cycles
            NFock= 13  Conv=0.77D-08     -V/T= 2.0050
 KE= 4.621047465509D+02 PE=-2.300626937786D+03 EE= 7.639020949642D+02
 Leave Link  502 at Mon Aug 16 21:29:56 2021, MaxMem=  5637144576 cpu:            2671.1 elap:             334.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.95615686D+02

 Leave Link  801 at Mon Aug 16 21:29:56 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 5.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.78D-01 7.13D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.18D-02 8.45D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 6.10D-03 2.59D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 5.29D-04 5.39D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 2.23D-05 8.79D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 9.78D-07 2.01D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.64D-08 3.09D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.17D-09 5.98D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 2.70D-11 8.05D-07.
      9 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 5.46D-13 8.83D-08.
      3 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.56D-14 1.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.171808D+03
      2  0.713722D+01  0.111182D+03
      3  0.515176D+01  0.434458D+01  0.114247D+03
 Isotropic polarizability for W=    0.085645      132.41 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.678223D+02 -0.450542D+02 -0.252603D+02
      2   0.587179D+02  0.397343D+02 -0.390044D+01
      3   0.910440D+01  0.531987D+01  0.291607D+02
      4  -0.438912D+02  0.100499D+03 -0.412468D+02
      5  -0.211836D+02 -0.465399D+02  0.239060D+02
      6  -0.235491D+02  0.144478D+02 -0.107868D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.927040D+01  0.952258D+01 -0.292246D+01
      2   0.126650D+02 -0.121050D+02  0.157837D+02
      3   0.302323D+02 -0.447374D+02  0.200682D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.529311D+01  0.183483D+02  0.161066D+02
      2  -0.407674D+01 -0.176977D+02  0.148016D+02
      3   0.116294D+01 -0.417810D+02  0.229908D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.265830D+01 -0.376295D+01 -0.466876D+01
      2  -0.376295D+01  0.974468D+00  0.386599D+01
      3  -0.466876D+01  0.386599D+01 -0.494001D+01
 OR G Eigenvalues:    -7.6906    -2.0383     8.4217  Iso=     0.4357
 Eigenvectors:
   (1)   0.312407  -0.270599   0.910592
   (2)   0.632974   0.774066   0.012867
   (3)   0.708340  -0.572361  -0.413106
 w=    0.085645 a.u., Optical Rotation Beta=      0.4357 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      135.75 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.16D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.84D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.61D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.57D-02 3.98D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 3.94D-03 1.46D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.97D-05 1.34D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.06D-06 1.02D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.17D-08 1.52D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 2.24D-10 1.63D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.06D-12 1.25D-07.
     17 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.01D-14 1.07D-08.
      3 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 2.65D-15 4.32D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.48D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.48D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171808D+03  0.713722D+01  0.515176D+01
      2   0.713722D+01  0.111182D+03  0.434458D+01
      3   0.515176D+01  0.434458D+01  0.114247D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.927040D+01  0.952258D+01 -0.292246D+01
      2   0.126650D+02 -0.121050D+02  0.157837D+02
      3   0.302323D+02 -0.447374D+02  0.200682D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.678223D+02 -0.450542D+02 -0.252603D+02
      2   0.587179D+02  0.397343D+02 -0.390044D+01
      3   0.910440D+01  0.531987D+01  0.291607D+02
      4  -0.438912D+02  0.100499D+03 -0.412468D+02
      5  -0.211836D+02 -0.465399D+02  0.239060D+02
      6  -0.235491D+02  0.144478D+02 -0.107868D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.219641D+01  0.147315D+01 -0.418487D+01  0.841121D+00  0.922597D+00
      2   0.147315D+01  0.940938D+00  0.362496D+01  0.922597D+00  0.330871D+01
      3  -0.418487D+01  0.362496D+01 -0.469911D+00  0.368594D+01  0.121858D+01
                 6             7             8             9            10 
      1   0.368594D+01 -0.474406D+01  0.376585D+01 -0.376563D+00  0.186045D+02
      2   0.121858D+01  0.376585D+01  0.166045D+01 -0.228958D+00 -0.227196D+01
      3  -0.882782D+00 -0.376563D+00 -0.228958D+00 -0.193500D+01  0.500404D+01
                11            12            13            14            15 
      1  -0.227196D+01  0.500404D+01 -0.563529D+01  0.131941D+01 -0.409593D+01
      2  -0.221850D-01 -0.324622D+01  0.131941D+01 -0.454205D+01 -0.216963D+01
      3  -0.324622D+01  0.209477D+00 -0.409593D+01 -0.216963D+01  0.336435D-01
                16            17            18            19            20 
      1   0.159528D+02 -0.398613D+01  0.187483D+01 -0.390860D+02 -0.191918D+01
      2  -0.398613D+01 -0.200616D+01  0.131589D+00 -0.191918D+01 -0.382004D+01
      3   0.187483D+01  0.131589D+00  0.102985D+01 -0.422012D+01  0.105647D+01
                21            22            23            24            25 
      1  -0.422012D+01  0.362745D+01 -0.782888D+01  0.265831D+01 -0.679735D+01
      2   0.105647D+01 -0.782888D+01 -0.171812D+01 -0.599138D+00  0.224998D+01
      3  -0.622437D+00  0.265831D+01 -0.599138D+00  0.287154D+01 -0.840171D+00
                26            27            28            29            30 
      1   0.224998D+01 -0.840171D+00  0.592606D+02  0.602779D+01  0.515840D+01
      2  -0.680837D+00  0.275688D+01  0.602779D+01  0.335106D+01 -0.173304D+00
      3   0.275688D+01  0.369413D+01  0.515840D+01 -0.173304D+00  0.201952D+01
                31            32            33            34            35 
      1   0.122400D+02  0.721265D+01 -0.687995D+00  0.922686D+01 -0.120482D+00
      2   0.721265D+01  0.378122D+01 -0.249017D-01 -0.120482D+00  0.579365D+00
      3  -0.687995D+00 -0.249017D-01 -0.174850D+01  0.396555D+01 -0.179592D+01
                36            37            38            39            40 
      1   0.396555D+01 -0.577652D+02 -0.786414D+01 -0.616641D+01 -0.126957D+02
      2  -0.179592D+01 -0.786414D+01 -0.270440D+01  0.106251D+00 -0.532911D+01
      3  -0.215192D+01 -0.616641D+01  0.106251D+00 -0.744110D+00  0.343070D-01
                41            42            43            44            45 
      1  -0.532911D+01  0.343070D-01 -0.791396D+01  0.638425D-01 -0.321561D+01
      2  -0.282007D+01 -0.283560D+00  0.638425D-01 -0.670747D+00  0.252394D+01
      3  -0.283560D+00  0.291690D+01 -0.321561D+01  0.252394D+01  0.270862D+01
                46            47            48            49            50 
      1   0.410857D+02  0.778895D+01  0.601074D+01  0.956255D+01  0.196680D+01
      2   0.778895D+01  0.850459D+00  0.163054D+01  0.196680D+01  0.861190D+00
      3   0.601074D+01  0.163054D+01  0.953280D+00  0.217773D+01  0.244170D+00
                51            52            53            54            55 
      1   0.217773D+01  0.440638D+01  0.190166D+01  0.203455D+01 -0.339774D+02
      2   0.244170D+00  0.190166D+01  0.326799D+00 -0.980902D+00 -0.603016D+01
      3  -0.114392D+01  0.203455D+01 -0.980902D+00 -0.221969D+01 -0.570397D+01
                56            57            58            59            60 
      1  -0.603016D+01 -0.570397D+01 -0.130384D+02 -0.642269D+01 -0.145826D+01
      2  -0.217383D+01 -0.126581D+01 -0.642269D+01 -0.397907D+01 -0.217397D+01
      3  -0.126581D+01 -0.275702D+01 -0.145826D+01 -0.217397D+01 -0.677592D+00
                61            62            63            64            65 
      1  -0.188349D+02 -0.310392D+01 -0.586348D+01 -0.694384D+01  0.153994D+01
      2  -0.310392D+01 -0.135739D+01 -0.147597D+01  0.153994D+01  0.477543D+00
      3  -0.586348D+01 -0.147597D+01 -0.424126D+01 -0.304171D+01  0.382151D+01
                66            67            68            69            70 
      1  -0.304171D+01  0.159108D+01 -0.454749D+00  0.379352D+01 -0.676917D+01
      2   0.382151D+01 -0.454749D+00  0.269160D+01  0.322570D+01  0.377752D+01
      3  -0.129015D+00  0.379352D+01  0.322570D+01 -0.106500D+01 -0.138376D+01
                71            72            73            74            75 
      1   0.377752D+01 -0.138376D+01 -0.629249D+01 -0.182039D+01 -0.159225D+01
      2   0.309081D+01 -0.407795D+00 -0.182039D+01  0.150819D+01 -0.369646D+00
      3  -0.407795D+00  0.159565D+01 -0.159225D+01 -0.369646D+00  0.255235D+01
                76            77            78            79            80 
      1  -0.192018D+01  0.217772D+01 -0.737080D+00  0.100897D+00 -0.198615D+00
      2   0.217772D+01  0.541255D+01  0.226386D+01 -0.198615D+00  0.182620D+01
      3  -0.737080D+00  0.226386D+01 -0.169496D+01  0.237462D+01 -0.230144D+01
                81            82            83            84            85 
      1   0.237462D+01  0.567414D+01  0.209459D+01  0.101438D+01  0.501104D+01
      2  -0.230144D+01  0.209459D+01  0.443695D+01  0.248931D+01  0.610298D+01
      3  -0.281364D+01  0.101438D+01  0.248931D+01 -0.310618D+01  0.168804D+01
                86            87            88            89            90 
      1   0.610298D+01  0.168804D+01  0.713416D+01  0.461391D+01 -0.329225D+01
      2  -0.161898D+01  0.427995D+00  0.461391D+01  0.410420D+00 -0.180051D+00
      3   0.427995D+00  0.293800D-01 -0.329225D+01 -0.180051D+00  0.500267D+00
                91            92            93            94            95 
      1   0.875710D+01  0.968033D+00 -0.284586D+01  0.224803D+01 -0.134283D+01
      2   0.968033D+00 -0.224214D+01 -0.107942D+00 -0.134283D+01 -0.388909D+01
      3  -0.284586D+01 -0.107942D+00 -0.277217D+01 -0.469298D+00 -0.128074D+01
                96            97            98            99           100 
      1  -0.469298D+00 -0.476391D+00 -0.244209D+00 -0.288666D+01  0.109418D+02
      2  -0.128074D+01 -0.244209D+00 -0.692584D+00  0.196453D+01  0.254784D+01
      3   0.212722D+01 -0.288666D+01  0.196453D+01  0.666012D+00  0.231121D+01
               101           102           103           104           105 
      1   0.254784D+01  0.231121D+01  0.120646D+01  0.147312D+01  0.271962D+00
      2   0.212804D+01  0.603008D+00  0.147312D+01  0.681296D+00  0.221389D+00
      3   0.603008D+00  0.152661D+01  0.271962D+00  0.221389D+00  0.373017D+00
               106           107           108           109           110 
      1   0.584426D+00  0.206708D+00  0.108204D+01 -0.303921D+00  0.517800D+00
      2   0.206708D+00 -0.851593D-01  0.626946D+00  0.517800D+00 -0.997040D+00
      3   0.108204D+01  0.626946D+00  0.104220D+01  0.960519D+00 -0.397007D+00
               111           112           113           114           115 
      1   0.960519D+00  0.312124D+00 -0.150176D+00  0.602200D-01  0.119808D+01
      2  -0.397007D+00 -0.150176D+00  0.748250D+00  0.986311D+00  0.578452D-01
      3  -0.205080D+01  0.602200D-01  0.986311D+00  0.141549D+01 -0.170680D+00
               116           117           118           119           120 
      1   0.578452D-01 -0.170680D+00 -0.417515D+00 -0.449984D+00 -0.656857D+00
      2   0.202388D+01  0.206432D+01 -0.449984D+00  0.269714D+00 -0.123992D+00
      3   0.206432D+01  0.736054D+01 -0.656857D+00 -0.123992D+00 -0.105322D+00
               121           122           123           124           125 
      1  -0.201394D+01  0.377694D+00 -0.232226D-01 -0.137346D+01  0.667546D-01
      2   0.377694D+00 -0.797448D+00 -0.115957D+01  0.667546D-01 -0.137229D+01
      3  -0.232226D-01 -0.115957D+01 -0.169050D+01  0.431209D+00 -0.110402D+01
               126           127           128           129           130 
      1   0.431209D+00 -0.206405D+01  0.162326D+01 -0.958381D-01  0.554013D+00
      2  -0.110402D+01  0.162326D+01 -0.419504D+01 -0.246124D+00 -0.184964D+01
      3  -0.676939D+01 -0.958381D-01 -0.246124D+00 -0.326045D+00 -0.272118D+00
               131           132           133           134           135 
      1  -0.184964D+01 -0.272118D+00  0.228998D+00 -0.566778D+00  0.213450D+00
      2   0.803042D+01  0.482047D-01 -0.566778D+00  0.146827D+01  0.113550D+01
      3   0.482047D-01  0.980809D+00  0.213450D+00  0.113550D+01  0.272407D+00
               136           137           138           139           140 
      1   0.300863D+01  0.151858D+01 -0.193316D+01 -0.198155D+00  0.830943D+00
      2   0.151858D+01  0.158072D+01 -0.141517D+01  0.830943D+00  0.219939D+01
      3  -0.193316D+01 -0.141517D+01  0.250536D+01 -0.100550D+01 -0.146935D+01
               141           142           143           144           145 
      1  -0.100550D+01 -0.438544D+01 -0.234828D+01  0.276787D+01  0.526298D+01
      2  -0.146935D+01 -0.234828D+01 -0.284160D+01  0.236859D+01 -0.232790D+01
      3   0.126400D+01  0.276787D+01  0.236859D+01 -0.454938D+01  0.314428D+01
               146           147           148           149           150 
      1  -0.232790D+01  0.314428D+01 -0.135535D+01  0.148160D+01 -0.127194D+01
      2   0.249236D+01 -0.210460D+01  0.148160D+01 -0.238614D+01  0.140123D+01
      3  -0.210460D+01  0.328389D+01 -0.127194D+01  0.140123D+01 -0.125735D+01
               151           152           153           154           155 
      1   0.233325D+01 -0.162319D+01  0.229899D+01 -0.132179D+01 -0.141002D+01
      2  -0.162319D+01  0.145082D+01 -0.182390D+01 -0.141002D+01 -0.243141D+01
      3   0.229899D+01 -0.182390D+01  0.373807D+01  0.122780D+00 -0.394757D+00
               156           157           158           159           160 
      1   0.122780D+00 -0.135978D+01 -0.137483D+01 -0.411465D+00 -0.494155D+00
      2  -0.394757D+00 -0.137483D+01 -0.662433D+01 -0.379640D+00 -0.693188D+00
      3  -0.580497D+00 -0.411465D+00 -0.379640D+00 -0.125640D+01 -0.279698D+00
               161           162           163           164           165 
      1  -0.693188D+00 -0.279698D+00 -0.351705D+01  0.688337D+00  0.190581D+01
      2  -0.252268D+01 -0.790790D+00  0.688337D+00 -0.116434D+01 -0.283494D+00
      3  -0.790790D+00 -0.799156D+00  0.190581D+01 -0.283494D+00 -0.243181D+01
               166           167           168           169           170 
      1   0.171339D+01 -0.949091D+00 -0.714614D+00  0.194141D+01 -0.657794D+00
      2  -0.949091D+00  0.714789D+00  0.317384D+00 -0.657794D+00  0.786742D+00
      3  -0.714614D+00  0.317384D+00  0.157094D+01 -0.187541D+01  0.258732D+00
               171           172           173           174           175 
      1  -0.187541D+01 -0.331041D+00 -0.652199D+00 -0.672864D-01 -0.152754D+01
      2   0.258732D+00 -0.652199D+00 -0.192226D+01 -0.118545D+01  0.399867D+00
      3   0.399579D+01 -0.672864D-01 -0.118545D+01 -0.111276D+01 -0.513724D-01
               176           177           178           179           180 
      1   0.399867D+00 -0.513724D-01 -0.299333D+00 -0.195819D+00  0.303640D+00
      2  -0.590227D+01 -0.276613D+01 -0.195819D+00 -0.274080D+01 -0.200761D+01
      3  -0.276613D+01 -0.219565D+01  0.303640D+00 -0.200761D+01 -0.257584D+01
               181           182           183           184           185 
      1   0.843821D+01 -0.286412D+01  0.156349D+01 -0.223938D+01  0.205726D+01
      2  -0.286412D+01  0.184378D+01 -0.789582D+00  0.205726D+01 -0.189361D+01
      3   0.156349D+01 -0.789582D+00  0.150440D+01 -0.715692D+00  0.176293D+00
               186           187           188           189           190 
      1  -0.715692D+00  0.535270D+01 -0.183798D+01  0.172116D+01  0.279682D+01
      2   0.176293D+00 -0.183798D+01  0.116575D+01 -0.646275D+00  0.687212D+00
      3  -0.482637D+00  0.172116D+01 -0.646275D+00  0.148932D+01 -0.127977D+01
               191           192           193           194           195 
      1   0.687212D+00 -0.127977D+01  0.218184D+01  0.710355D+00 -0.175861D+01
      2   0.646716D+00 -0.923791D+00  0.710355D+00  0.205876D+01 -0.160359D+01
      3  -0.923791D+00  0.152964D+01 -0.175861D+01 -0.160359D+01  0.247140D+01
               196           197           198           199           200 
      1  -0.189853D+01 -0.934918D+00  0.236363D+01  0.132781D+01  0.776751D+00
      2  -0.934918D+00 -0.186920D+01  0.133487D+01  0.776751D+00  0.103808D+00
      3   0.236363D+01  0.133487D+01 -0.433080D+01  0.116811D+01 -0.991287D-01
               201           202           203           204           205 
      1   0.116811D+01  0.173261D+01 -0.910445D+00  0.259648D+00  0.196068D+01
      2  -0.991287D-01 -0.910445D+00  0.743369D+00  0.104665D+01  0.408592D+00
      3  -0.429516D+00  0.259648D+00  0.104665D+01  0.157437D+01 -0.345340D+00
               206           207           208           209           210 
      1   0.408592D+00 -0.345340D+00 -0.930339D+00 -0.517965D+00 -0.888088D+00
      2   0.146542D+01  0.148102D+01 -0.517965D+00 -0.699469D-01 -0.394543D-01
      3   0.148102D+01  0.432754D+01 -0.888088D+00 -0.394543D-01  0.212832D-01
               211           212           213           214           215 
      1  -0.101225D+01  0.109276D+00 -0.414990D+00 -0.179402D+01 -0.309230D+00
      2   0.109276D+00 -0.124687D+01 -0.142711D+01 -0.309230D+00 -0.171656D+01
      3  -0.414990D+00 -0.142711D+01 -0.238604D+01 -0.289616D+00 -0.204373D+01
               216           217           218           219           220 
      1  -0.289616D+00 -0.853621D+00  0.577640D+00  0.191808D+00  0.214558D+01
      2  -0.204373D+01  0.577640D+00  0.114887D+01  0.312308D+00 -0.181583D+00
      3  -0.685069D+01  0.191808D+00  0.312308D+00  0.103128D+01 -0.702003D+00
               221           222           223           224           225 
      1  -0.181583D+00 -0.702003D+00  0.881196D+00  0.135432D+00  0.981271D-01
      2   0.704617D+01  0.168189D+01  0.135432D+00  0.509371D+00  0.684077D+00
      3   0.168189D+01  0.191270D+01  0.981271D-01  0.684077D+00  0.769140D+00
               226           227           228           229           230 
      1   0.548872D+00 -0.916663D+00  0.927475D+00 -0.130996D+01  0.572553D+00
      2  -0.916663D+00  0.115607D+01 -0.398374D+00  0.572553D+00 -0.107546D+01
      3   0.927475D+00 -0.398374D+00  0.270909D+01 -0.136030D+00  0.155937D+01
               231           232           233           234           235 
      1  -0.136030D+00  0.262282D+01 -0.460913D+00  0.607491D+00 -0.970646D+01
      2   0.155937D+01 -0.460913D+00  0.149022D+01 -0.133472D+01  0.214806D+00
      3  -0.255238D+01  0.607491D+00 -0.133472D+01  0.490533D+01  0.319315D+01
               236           237           238           239           240 
      1   0.214806D+00  0.319315D+01 -0.661436D+00 -0.920810D+00  0.296440D+00
      2  -0.119258D+01 -0.805169D-01 -0.920810D+00  0.215799D+00  0.518286D+00
      3  -0.805169D-01 -0.220858D+01  0.296440D+00  0.518286D+00 -0.507699D+00
               241           242           243 
      1   0.185613D+01  0.333465D-01 -0.131791D+01
      2   0.333465D-01  0.301501D+00 -0.208908D+00
      3  -0.131791D+01 -0.208908D+00  0.114191D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.605426D+01  0.937338D+01  0.545134D+01  0.875490D+01  0.912910D+01
      2  -0.804679D+01  0.205419D+01  0.781194D+01  0.652332D+01 -0.637334D-01
      3  -0.280871D+01 -0.796073D+01  0.235062D+01 -0.368154D+00 -0.703367D+01
                 6             7             8             9            10 
      1  -0.199944D+01  0.584404D+01  0.465981D+01 -0.504386D+01  0.396649D+01
      2  -0.688429D+01  0.359136D+01 -0.709544D+01 -0.277046D+01  0.175051D+02
      3  -0.871547D+01  0.115366D+01 -0.104259D+02  0.635936D+00  0.907547D+01
                11            12            13            14            15 
      1  -0.469594D+01 -0.897611D-01 -0.588759D+01 -0.583478D+01 -0.490480D+01
      2  -0.771810D+01  0.447021D+01 -0.107171D+02 -0.331944D+01  0.298555D+00
      3  -0.203085D+01  0.700137D+01  0.667784D+01  0.120808D+02  0.905145D+01
                16            17            18            19            20 
      1   0.170546D+01  0.383082D+01 -0.439738D+00  0.224961D+01  0.243560D+01
      2   0.425492D+01  0.131028D+01  0.318548D+01 -0.265848D+02 -0.164121D+01
      3   0.921243D+01  0.926746D+01 -0.671294D+00 -0.154533D+02 -0.402144D+01
                21            22            23            24            25 
      1  -0.119279D+01  0.567647D+01  0.327455D+01 -0.254754D+01 -0.341780D+01
      2  -0.828884D-01 -0.104225D+00 -0.625062D+01  0.426109D+01 -0.148210D+02
      3  -0.317046D+01  0.589276D+01 -0.580093D+01  0.238746D+01 -0.307774D+01
                26            27            28            29            30 
      1   0.368000D+01 -0.373142D+01 -0.817965D+01  0.864069D+00 -0.426309D+00
      2   0.239695D+01  0.226808D+00  0.305863D+02  0.538603D+01 -0.117657D+01
      3   0.319676D+00 -0.187682D+01  0.165766D+02  0.787720D+01 -0.926461D-01
                31            32            33            34            35 
      1   0.605782D+01 -0.857521D+00 -0.280797D+01 -0.263191D+01  0.177541D+01
      2   0.129942D+02  0.333027D+01  0.263345D-01 -0.201075D+02 -0.193993D+01
      3   0.356630D+02  0.924374D+01  0.277289D+01 -0.128665D+01 -0.425262D+00
                36            37            38            39            40 
      1   0.327439D+01  0.827791D+01 -0.197754D+01  0.963674D+00 -0.691334D+01
      2  -0.260750D+00 -0.226177D+02 -0.548528D+01  0.347512D+01 -0.119996D+02
      3   0.431037D+00 -0.223833D+02 -0.112715D+02 -0.569018D+00 -0.296144D+01
                41            42            43            44            45 
      1  -0.123750D+00 -0.807377D+00  0.765861D+01  0.182288D+01 -0.469841D+00
      2  -0.352914D+01 -0.519228D+01 -0.129949D+02 -0.634954D+01 -0.116583D+02
      3  -0.368513D+01  0.174022D+01  0.119840D+01  0.312098D+01  0.364777D+01
                46            47            48            49            50 
      1  -0.646762D+01  0.893284D+01 -0.317752D+00  0.383616D+01 -0.643230D+01
      2   0.648726D+01  0.508511D+01 -0.757956D+01  0.432838D+01 -0.361378D+00
      3   0.143420D+02  0.156007D+02  0.114723D+01  0.230090D+02  0.573036D+01
                51            52            53            54            55 
      1  -0.136108D+02  0.191650D+00 -0.267289D+01  0.940932D+01  0.364408D+01
      2  -0.229941D+01 -0.158429D+02  0.151496D+00  0.628813D+01 -0.578269D+01
      3  -0.222499D+01 -0.766643D+00  0.727549D+00 -0.509095D+00 -0.114495D+02
                56            57            58            59            60 
      1  -0.205042D+01 -0.107661D+01  0.306684D+01  0.284780D+01  0.328335D+00
      2  -0.734375D+00  0.171496D+02 -0.474297D+01  0.267522D+01  0.640185D+01
      3  -0.179145D+02 -0.289711D+01 -0.132676D+02 -0.137363D+02 -0.455312D+01
                61            62            63            64            65 
      1   0.872900D+00  0.369687D+01 -0.300694D+01 -0.413106D+01  0.489859D+01
      2   0.171871D+01  0.224111D+01  0.132324D+02 -0.144984D+02  0.144093D+02
      3  -0.521989D+01 -0.890794D+01 -0.401672D+01  0.457451D+00 -0.556702D+01
                66            67            68            69            70 
      1  -0.512741D+01  0.671716D+01  0.212125D+01 -0.696112D+01 -0.734710D+01
      2  -0.151204D+01  0.135962D+02  0.115772D+02  0.463487D+00 -0.128466D+02
      3  -0.100565D+02  0.427437D+01 -0.992514D+01 -0.169582D+02 -0.107755D+02
                71            72            73            74            75 
      1  -0.125611D+01  0.383249D+01 -0.124950D+01  0.440189D+01 -0.532476D+01
      2   0.317616D+01  0.606389D+01  0.647092D+01  0.235174D+01  0.125317D+02
      3  -0.161089D+02  0.307013D+01 -0.233322D+01 -0.114048D+02  0.119514D+00
                76            77            78            79            80 
      1   0.154287D+01  0.240308D+01  0.434378D+01 -0.411835D+01  0.878831D+01
      2   0.676377D+00  0.360172D+01 -0.531312D+01  0.511070D+01 -0.730744D+01
      3  -0.504993D+01 -0.126895D+02 -0.861382D+01  0.153020D+01 -0.735391D+01
                81            82            83            84            85 
      1   0.367693D+00 -0.310259D+01 -0.113962D+02  0.790316D+01 -0.121779D+02
      2  -0.116666D+02  0.611016D+01  0.484553D+01 -0.279897D+01  0.705529D+01
      3   0.115140D+02  0.683509D+00 -0.914729D+01 -0.359304D+01  0.284060D+01
                86            87            88            89            90 
      1   0.121317D+01 -0.369525D+01  0.759563D+01  0.264360D+01 -0.998009D-01
      2   0.604984D+01  0.184557D+01 -0.348337D+01  0.306377D+01 -0.244471D+01
      3   0.148783D+02  0.470655D+01 -0.234097D+00  0.976424D+01 -0.919316D+01
                91            92            93            94            95 
      1   0.210365D+01 -0.604069D+01  0.323324D+01  0.207842D+01 -0.683430D+01
      2   0.286373D+01 -0.100196D+01  0.180180D+02 -0.166972D+00  0.886521D+01
      3   0.618624D+01 -0.102298D+02 -0.185667D+01 -0.749756D+00 -0.147126D+02
                96            97            98            99           100 
      1  -0.935480D+01 -0.530112D+00  0.259595D+01  0.367335D+01 -0.875106D+00
      2  -0.914399D+01  0.846551D+01 -0.696616D+01  0.184973D+01 -0.426079D+01
      3  -0.509688D+01 -0.859617D+00 -0.545138D+00  0.501844D+01  0.699057D+01
               101           102           103           104           105 
      1   0.197900D+01 -0.207684D+01  0.403376D+00  0.522768D-01 -0.145469D+01
      2  -0.343493D+00  0.540908D+01 -0.655628D+00 -0.643013D+00  0.112068D+01
      3  -0.665895D+01  0.103889D+01 -0.248250D+00 -0.782209D-01  0.487335D+00
               106           107           108           109           110 
      1  -0.923364D+00  0.340620D-01 -0.663807D+00 -0.747699D+00 -0.177481D+01
      2   0.909159D+00  0.131135D+01  0.230317D+01  0.432866D+01 -0.156735D+01
      3   0.310055D+00  0.413403D+00 -0.465420D+00 -0.233554D+01  0.241646D+01
               111           112           113           114           115 
      1   0.265829D+01 -0.735617D+00 -0.786080D+00 -0.212257D+01  0.661679D+00
      2  -0.626046D+01 -0.790194D+00  0.327457D+01  0.372163D+01 -0.579787D+01
      3   0.226520D+01  0.248796D+01 -0.164091D+01 -0.236560D+01  0.233384D+01
               116           117           118           119           120 
      1   0.220622D+01 -0.749565D+01  0.725398D+00  0.357926D+00  0.695839D-01
      2   0.525213D+01  0.205705D+02 -0.202626D+01 -0.609238D+00  0.546313D+00
      3  -0.449941D+01 -0.591111D+01  0.472558D+00 -0.108045D+01 -0.289271D+00
               121           122           123           124           125 
      1   0.997711D+00  0.210352D+01  0.547876D+00 -0.293513D+00  0.489448D+01
      2  -0.201174D+01 -0.545311D+00 -0.177251D+01 -0.459119D+01 -0.857704D+00
      3   0.184471D+01  0.436867D+00  0.863257D+00 -0.203939D+00  0.582184D+00
               126           127           128           129           130 
      1   0.296259D+01 -0.672615D+00  0.335637D+01  0.220674D+01  0.177762D+01
      2  -0.589929D+01 -0.137065D+01  0.412588D+00  0.352918D+00 -0.253905D+00
      3   0.130722D+01 -0.919772D+01  0.919291D+01  0.381498D+00  0.948626D+01
               131           132           133           134           135 
      1  -0.505374D+01 -0.498231D+01 -0.910857D-01 -0.215936D+01 -0.172657D+01
      2  -0.132459D+01  0.371366D+00 -0.736818D+00  0.135904D+01  0.553337D+00
      3  -0.174939D+02 -0.447464D+00  0.218431D+01 -0.396818D+01 -0.153716D+01
               136           137           138           139           140 
      1   0.321883D+01  0.139984D+01 -0.573338D+01  0.161655D+01  0.165534D+01
      2  -0.258453D+00 -0.149200D+01  0.463990D+01 -0.164633D+01 -0.197769D+01
      3   0.398144D+01 -0.208386D+01 -0.130944D+01  0.393443D+00 -0.293902D+01
               141           142           143           144           145 
      1  -0.267738D+01 -0.520491D+01 -0.620736D+00  0.934861D+01  0.171068D+01
      2   0.209607D+01 -0.340635D+00  0.255821D+01 -0.613491D+01 -0.306165D+01
      3   0.412332D+00 -0.423733D+01  0.157990D+01  0.133404D+01 -0.431941D+01
               146           147           148           149           150 
      1   0.930422D+00  0.324797D+01 -0.137872D+00 -0.129847D+01 -0.170448D+01
      2  -0.937749D+00  0.357565D+01  0.167767D+01  0.535981D+00 -0.297910D+00
      3  -0.287519D+01 -0.592861D+00  0.183523D+01  0.253537D+01  0.399817D-01
               151           152           153           154           155 
      1   0.121708D+01  0.845604D+00  0.409575D+01 -0.209405D+01 -0.469370D+01
      2  -0.260144D+01 -0.370706D+00  0.372341D+01  0.243609D+01  0.169331D+01
      3  -0.291625D+01 -0.333938D+00 -0.620472D+00  0.704215D+01  0.548746D+01
               156           157           158           159           160 
      1  -0.294724D+01 -0.318114D+01 -0.101594D+02 -0.542984D+01 -0.191651D+01
      2   0.209896D-01  0.149514D+01  0.275635D+01 -0.163340D+00 -0.937760D+00
      3   0.749776D+00  0.741646D+01  0.132001D+02  0.127246D+01  0.336271D+01
               161           162           163           164           165 
      1  -0.338090D+01 -0.384919D+01  0.613952D+01 -0.458722D+01 -0.447815D+01
      2   0.339467D+00 -0.172944D+00  0.121807D+02 -0.230387D+01 -0.537257D+01
      3   0.555116D+01  0.200083D+01  0.588757D+01 -0.902075D+00 -0.321855D+01
               166           167           168           169           170 
      1  -0.422818D+01  0.324699D+01  0.159141D+01 -0.488771D+01  0.392649D+01
      2  -0.565870D+01  0.229129D+01  0.326405D+01 -0.888871D+01  0.189630D+01
      3   0.214638D+00  0.741154D+00  0.110404D+01 -0.335792D+01  0.148496D+01
               171           172           173           174           175 
      1   0.659691D+01  0.514359D+00  0.504718D+00 -0.113950D+01  0.544351D-01
      2   0.815942D+01 -0.193043D+01 -0.450792D+01 -0.270828D+01 -0.275884D+01
      3   0.326024D+01  0.435269D+01  0.613632D+01  0.390231D+01  0.327049D+01
               176           177           178           179           180 
      1   0.227759D+01 -0.294287D+01  0.572740D+00  0.156817D+01 -0.254474D+01
      2  -0.962109D+01 -0.752385D+01 -0.116034D+01 -0.703822D+01 -0.800593D+01
      3   0.191425D+02  0.952640D+01  0.223494D+01  0.998351D+01  0.671978D+01
               181           182           183           184           185 
      1   0.446840D+01 -0.213458D+01  0.355853D+01 -0.240595D+01  0.129092D+01
      2   0.111038D+02 -0.497021D+01  0.936180D+01 -0.428221D+01  0.186033D+01
      3  -0.772634D+00 -0.573774D+01  0.850020D+00 -0.217282D+01  0.476921D+01
               186           187           188           189           190 
      1  -0.187259D+01  0.277969D+01 -0.230543D+00  0.274315D+01 -0.237866D+01
      2  -0.323685D+01  0.710514D+01 -0.302130D+01  0.744170D+01 -0.177246D+01
      3   0.419961D+00  0.133842D+01 -0.300807D+01  0.302869D+00 -0.396575D+01
               191           192           193           194           195 
      1  -0.229591D+01  0.262660D+01 -0.209820D+01 -0.614165D+01  0.350076D+01
      2  -0.234596D+01  0.509768D+01 -0.261063D+01 -0.514345D+01  0.745279D+01
      3  -0.393293D+01  0.448269D+01 -0.256601D+01 -0.921726D+01  0.685203D+01
               196           197           198           199           200 
      1   0.343495D+01  0.618224D+01 -0.583203D+01  0.107024D+00 -0.334215D+00
      2   0.367749D+01  0.390711D+01 -0.126389D+02  0.241454D+00  0.255508D+00
      3   0.452089D+01  0.834089D+01 -0.665203D+01  0.794042D+00  0.658891D+00
               201           202           203           204           205 
      1   0.434842D+00 -0.439314D+01 -0.524495D+00 -0.236771D+01  0.160547D+01
      2  -0.239237D+00 -0.152273D+01 -0.141019D+01 -0.757851D+00 -0.317360D+01
      3   0.699840D+00  0.277286D+01  0.442099D-01  0.549681D-01  0.205359D+01
               206           207           208           209           210 
      1   0.207802D+01 -0.336342D+01  0.934743D+00 -0.379097D+00 -0.293727D-01
      2   0.176315D+00 -0.239410D+01  0.983368D+00  0.150730D-01  0.743527D+00
      3   0.838727D+00 -0.633706D-01 -0.152767D+01 -0.644715D+00 -0.493081D+00
               211           212           213           214           215 
      1  -0.213055D+01  0.142918D+01 -0.163597D+00  0.821015D+00  0.423070D+01
      2  -0.297748D+00  0.285704D+01  0.439429D+01 -0.383228D+01  0.372752D+01
      3   0.330554D+01 -0.198123D+01 -0.279815D+01 -0.445019D+00 -0.339841D+01
               216           217           218           219           220 
      1  -0.190463D+00 -0.176558D-01  0.243765D+01  0.376685D+00 -0.382352D+00
      2   0.121058D+02 -0.142148D+01 -0.240413D+01 -0.308982D+01 -0.753704D+00
      3  -0.435280D+01  0.232864D+01  0.413101D+01  0.131938D+01  0.218797D+01
               221           222           223           224           225 
      1   0.118792D+02  0.108637D+01  0.157496D+01  0.858105D+00  0.386764D+00
      2  -0.700347D+01 -0.523754D+01 -0.868006D+00 -0.225302D+01 -0.327889D+01
      3   0.245683D+02  0.569013D+01  0.160258D+01  0.135523D+01  0.228199D+01
               226           227           228           229           230 
      1  -0.868818D+00  0.262161D+01 -0.356373D+01  0.124532D+00 -0.314507D+01
      2  -0.680968D+01  0.339265D+01 -0.115583D+02  0.303749D+01 -0.741310D+01
      3  -0.251048D+01  0.268398D+01 -0.138935D+01  0.178908D+01 -0.321015D+01
               231           232           233           234           235 
      1   0.404536D+01 -0.220712D+01  0.421099D+01 -0.530199D+01 -0.122140D+01
      2   0.102049D+02 -0.725939D+01  0.578207D+01 -0.189308D+02  0.172070D+01
      3   0.557720D+01 -0.114122D+01  0.422972D+01 -0.423502D+01 -0.368239D+01
               236           237           238           239           240 
      1  -0.213354D+01  0.792963D+00 -0.609055D+00  0.944250D-01 -0.159116D+00
      2   0.334964D+00  0.629659D+01 -0.410770D+00 -0.106881D+01  0.190025D+01
      3  -0.631192D+01  0.104614D+01 -0.207397D+01  0.340463D+00  0.138987D+01
               241           242           243 
      1   0.602299D+00  0.138255D+01 -0.757972D+00
      2  -0.453063D+00  0.982676D+00 -0.202217D+01
      3   0.148580D+01  0.141541D+01 -0.141982D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.846464D+01  0.504856D+01 -0.657294D+01  0.991336D+00  0.669183D+01
      2   0.220908D+01 -0.184672D+02 -0.505714D+01 -0.132180D+02 -0.168593D+02
      3  -0.106737D+02  0.134186D+02  0.116301D+02  0.122267D+02  0.101675D+02
      4   0.109169D+02 -0.424679D+01  0.214977D+02 -0.196207D+01  0.613470D+01
      5  -0.176019D+02  0.174688D+02 -0.129276D+02  0.168125D+02  0.367315D+01
      6   0.127498D+02 -0.116994D+02  0.113257D+02 -0.796564D+01 -0.358359D+01
                 6             7             8             9            10 
      1   0.190569D+02 -0.605925D+01  0.194239D+02 -0.148780D+01 -0.121713D+01
      2  -0.126200D+02 -0.709678D+01 -0.156057D+02  0.662480D+01  0.610938D+01
      3  -0.643682D+01  0.131560D+02 -0.381815D+01 -0.513700D+01 -0.489224D+01
      4  -0.612446D+01  0.224946D+02 -0.872132D+01  0.439346D+01 -0.141321D+02
      5   0.680367D+01 -0.126597D+02  0.926146D+01 -0.812510D+01  0.110365D+02
      6   0.427258D+01  0.102512D+02  0.301389D+01  0.121072D+01 -0.114796D+02
                11            12            13            14            15 
      1  -0.252066D+01  0.761305D+01 -0.536541D+01 -0.100468D+02 -0.193769D+02
      2   0.470779D+01 -0.288781D+00  0.356961D+01  0.125756D+02  0.663184D+01
      3  -0.218714D+01 -0.732427D+01  0.179581D+01 -0.252882D+01  0.127451D+02
      4   0.577867D+00 -0.190325D+02  0.344653D+01 -0.253119D+02 -0.532008D+01
      5  -0.156016D+02 -0.269432D+01 -0.171356D+02 -0.146608D+02  0.901945D+00
      6   0.793926D+01 -0.371504D+01 -0.189111D+01 -0.168446D+01 -0.617091D+01
                16            17            18            19            20 
      1   0.684681D+01 -0.183947D+02 -0.331148D+01  0.424184D+02  0.989575D+01
      2   0.600971D+01  0.961842D+01 -0.277214D+01 -0.396143D+02 -0.137126D+02
      3  -0.128565D+02  0.877628D+01  0.608362D+01 -0.280418D+01  0.381687D+01
      4  -0.277820D+02 -0.484959D+00 -0.706017D+00  0.801435D+01 -0.864112D+01
      5  -0.468949D+01  0.549395D+00  0.250098D+01  0.168891D+02  0.487901D+01
      6  -0.462236D+01 -0.311393D+01  0.118694D+01  0.103404D+02 -0.327840D+00
                21            22            23            24            25 
      1   0.420461D+01  0.182809D+02  0.636185D+01  0.689713D+01 -0.148965D-02
      2  -0.348023D+01 -0.175244D+02 -0.110005D+02  0.266229D+01 -0.467487D+01
      3  -0.724380D+00 -0.756421D+00  0.463862D+01 -0.955943D+01  0.467636D+01
      4   0.548943D+01 -0.285041D+02 -0.442609D+01 -0.281764D+01  0.135289D+02
      5   0.481527D+01  0.497453D+01  0.526630D+01  0.401471D+01  0.351791D+01
      6   0.298599D+01  0.724409D+01  0.621256D+01  0.769215D+00  0.276663D+01
                26            27            28            29            30 
      1   0.883679D+01  0.142565D+02 -0.122766D+03 -0.123326D+02 -0.566712D+01
      2  -0.142394D+01  0.590832D+01  0.833941D+02  0.762349D+01  0.576546D+01
      3  -0.741285D+01 -0.201648D+02  0.393718D+02  0.470908D+01 -0.983398D-01
      4  -0.460959D+01  0.831318D+01 -0.136270D+02 -0.104846D+02  0.302978D+00
      5   0.501428D+01  0.567019D+01 -0.373984D+02 -0.194235D+01 -0.124491D+02
      6  -0.577424D+00 -0.208859D+01 -0.173691D+02 -0.562477D+01  0.914225D-01
                31            32            33            34            35 
      1  -0.350770D+02 -0.252187D+02  0.341842D+01 -0.299641D+02  0.180815D+00
      2   0.257220D+02  0.221670D+02 -0.289209D+01  0.176303D+02 -0.239834D+01
      3   0.935497D+01  0.305172D+01 -0.526324D+00  0.123338D+02  0.221753D+01
      4  -0.949269D+01 -0.100504D+02  0.140394D+01 -0.655853D+01  0.173445D+01
      5  -0.914803D+01 -0.475834D+01 -0.749327D-01 -0.109005D+02  0.194031D+01
      6  -0.565394D+01 -0.857999D+01  0.449301D+01 -0.155361D+01  0.108111D+01
                36            37            38            39            40 
      1  -0.111535D+02  0.176766D+03  0.288160D+02  0.189263D+02  0.316469D+02
      2   0.135701D+01 -0.108376D+03 -0.174497D+02 -0.125062D+02 -0.162259D+02
      3   0.979650D+01 -0.683900D+02 -0.113662D+02 -0.642010D+01 -0.154210D+02
      4   0.105701D+01  0.322510D+02  0.175844D+02 -0.504015D-01  0.308043D+02
      5   0.145985D+01  0.559757D+02  0.405103D+01  0.128928D+02  0.410099D+01
      6  -0.490532D+01  0.195380D+02  0.533730D+01 -0.111245D+00  0.991285D+01
                41            42            43            44            45 
      1   0.511371D+01  0.929614D+01  0.815363D+01  0.877870D+01  0.129630D+02
      2   0.197475D+01  0.201421D+01 -0.106692D+02 -0.317740D+01 -0.195890D+01
      3  -0.708846D+01 -0.113103D+02  0.251558D+01 -0.560130D+01 -0.110041D+02
      4   0.708162D+01  0.310000D+01 -0.726670D+01 -0.292238D+01 -0.947825D+01
      5   0.319392D+01 -0.116276D+02  0.158169D+02 -0.845474D+01 -0.115066D+02
      6   0.101367D+01  0.401355D+01 -0.278743D+00  0.147109D+01 -0.902883D+01
                46            47            48            49            50 
      1  -0.166094D+03 -0.302979D+02 -0.343309D+02 -0.510888D+02 -0.165314D+02
      2   0.920580D+02  0.142566D+02  0.189023D+02  0.267735D+02  0.114240D+02
      3   0.740356D+02  0.160413D+02  0.154286D+02  0.243153D+02  0.510742D+01
      4  -0.517249D+02 -0.254378D+02 -0.109277D+02 -0.995910D+01 -0.946053D+01
      5  -0.710041D+02 -0.148305D+02 -0.276493D+02 -0.255166D+02 -0.334433D+01
      6  -0.190584D+02 -0.269930D+01 -0.587561D+01  0.231263D+00 -0.557100D+01
                51            52            53            54            55 
      1  -0.103592D+02 -0.410152D+02 -0.110409D+02 -0.155950D+02  0.179754D+03
      2   0.912439D+01  0.142013D+02  0.318715D+00  0.129604D+02 -0.945083D+02
      3   0.123485D+01  0.268138D+02  0.107222D+02  0.263455D+01 -0.852459D+02
      4  -0.173989D+01 -0.198400D+02  0.819997D+00  0.400128D+01  0.455740D+02
      5   0.297355D+01 -0.208089D+02  0.487528D+01  0.148019D+02  0.674648D+02
      6   0.209934D+01  0.357336D+01 -0.456916D+01 -0.440462D+01  0.103608D+02
                56            57            58            59            60 
      1   0.301165D+02  0.359156D+02  0.559890D+02  0.282972D+02  0.449771D+01
      2  -0.117455D+02 -0.235368D+02 -0.243254D+02 -0.639989D+01 -0.746304D+00
      3  -0.183709D+02 -0.123788D+02 -0.316636D+02 -0.218973D+02 -0.375141D+01
      4   0.326252D+02  0.107076D+02  0.535078D+02  0.341586D+02  0.171662D+02
      5   0.128121D+02  0.396545D+02  0.190387D+02  0.188652D+02  0.933618D+01
      6   0.615277D+01  0.499751D+01  0.102954D+02  0.869370D+01  0.997704D+01
                61            62            63            64            65 
      1   0.853680D+02  0.110553D+02  0.264258D+02 -0.285601D+02  0.155676D+02
      2  -0.517787D+02 -0.472045D+01 -0.246501D+02  0.880510D+01 -0.510141D+01
      3  -0.335893D+02 -0.633487D+01 -0.177571D+01  0.197550D+02 -0.104662D+02
      4   0.218996D+02  0.131976D+02  0.113518D+02  0.171485D+02 -0.143438D+01
      5   0.635473D+02  0.133594D+02  0.402413D+02 -0.182037D+02  0.231061D+02
      6   0.992375D+01  0.100256D+02  0.563236D+01  0.101014D+02 -0.105509D+02
                66            67            68            69            70 
      1  -0.144160D+02  0.943380D+01  0.981514D+01  0.322139D+02 -0.228443D+02
      2  -0.101157D+01  0.105933D+01 -0.641183D+01 -0.242613D+02  0.971590D+00
      3   0.154276D+02 -0.104931D+02 -0.340331D+01 -0.795260D+01  0.218727D+02
      4   0.276763D+02 -0.567420D+01  0.104155D+02  0.104611D+02  0.329075D+02
      5  -0.480411D+00  0.236791D+02  0.151586D+02 -0.117816D+02 -0.402048D+01
      6  -0.449568D+01 -0.696028D+01 -0.116460D+02 -0.607067D+01 -0.279563D+01
                71            72            73            74            75 
      1   0.331287D+02 -0.533236D+01 -0.461886D+02 -0.166341D+02 -0.135182D+02
      2  -0.248737D+02  0.562158D+01  0.195983D+02  0.752680D+01 -0.169698D+01
      3  -0.825502D+01 -0.289222D+00  0.265904D+02  0.910727D+01  0.152151D+02
      4   0.808856D+01 -0.432926D+01 -0.226432D+02 -0.282857D+00 -0.320220D+01
      5  -0.829105D+01  0.978372D+01 -0.162859D+02 -0.362842D+01  0.856064D+01
      6  -0.681456D+01  0.399207D-02 -0.320971D+01 -0.267255D+01  0.784266D+01
                76            77            78            79            80 
      1  -0.144745D+02  0.705754D+01 -0.312373D+01 -0.414693D+01 -0.141532D+01
      2   0.108765D+02 -0.356056D+00  0.105720D+02 -0.476292D+01  0.725171D+01
      3   0.359802D+01 -0.670148D+01 -0.744831D+01  0.890984D+01 -0.583640D+01
      4   0.819998D+01  0.267556D+02  0.100156D+02 -0.196923D+00  0.250379D+01
      5  -0.577651D+01  0.165520D+02 -0.818996D+01  0.114935D+02 -0.817408D+01
      6   0.392107D+01  0.951509D+01 -0.108388D+01  0.609296D+01 -0.344532D+01
                81            82            83            84            85 
      1   0.211155D+02 -0.788386D+01 -0.119387D+02 -0.791090D+01 -0.135063D+02
      2  -0.430008D+01  0.132503D+02  0.280544D+02  0.973554D+01  0.248861D+02
      3  -0.168154D+02 -0.536648D+01 -0.161157D+02 -0.182464D+01 -0.113798D+02
      4  -0.423307D+01  0.567234D+01  0.878950D+01  0.875079D+01  0.189061D+02
      5  -0.826156D+01  0.109652D+01  0.865608D+01 -0.158930D+02  0.703834D+01
      6  -0.954497D+01  0.896240D+00  0.844727D+01 -0.145999D+02  0.194636D+01
                86            87            88            89            90 
      1   0.119895D+02  0.613301D+01 -0.240197D+02  0.733255D+01 -0.110466D+02
      2  -0.130268D+02 -0.534604D+01  0.238346D+02 -0.541513D+01  0.807255D+01
      3   0.103733D+01 -0.786970D+00  0.185045D+00 -0.191741D+01  0.297406D+01
      4   0.106661D+02  0.540474D+01  0.150575D+02  0.112446D+02 -0.101275D+02
      5  -0.212370D+01 -0.456712D+00 -0.233217D+02 -0.637076D+01  0.570420D+01
      6  -0.401299D+01 -0.172460D+01 -0.181421D+02 -0.344467D+01  0.609044D+01
                91            92            93            94            95 
      1  -0.558692D+02 -0.328916D+01  0.328679D+02 -0.115960D+02  0.227297D+02
      2   0.343440D+02 -0.374126D+01 -0.949604D+01  0.381735D+01 -0.177462D+02
      3   0.215252D+02  0.703043D+01 -0.233719D+02  0.777860D+01 -0.498350D+01
      4  -0.225291D+01  0.157342D+02  0.922314D+00  0.994620D+01  0.227088D+02
      5   0.298255D+02  0.261379D+01  0.106256D+02  0.589263D+01  0.370926D+01
      6   0.207817D+01 -0.708176D+01  0.137441D+01 -0.452944D+01 -0.102814D+02
                96            97            98            99           100 
      1  -0.265521D+01  0.172323D+02 -0.498292D+01  0.141552D+02  0.798434D+02
      2  -0.104270D+02 -0.259590D+01 -0.301505D+01 -0.845072D+01 -0.385510D+02
      3   0.130823D+02 -0.146364D+02  0.799798D+01 -0.570447D+01 -0.412925D+02
      4   0.632880D+01  0.243963D+01  0.179531D+01 -0.125834D+02  0.349626D+02
      5  -0.114475D+02  0.138615D+02 -0.109936D+02 -0.114873D+02  0.247944D+02
      6  -0.374416D+01 -0.117086D+01  0.239822D+01  0.110504D+02  0.754393D+01
               101           102           103           104           105 
      1   0.148209D+02  0.130559D+02  0.676329D+01  0.705577D+01  0.107524D+01
      2  -0.354630D+01 -0.813560D+01 -0.893856D-01  0.483655D+00 -0.112553D+01
      3  -0.112746D+02 -0.492026D+01 -0.667390D+01 -0.753942D+01  0.502852D-01
      4   0.209050D+02  0.757934D+01  0.157116D+02  0.761861D+01  0.265205D+01
      5   0.637634D+01  0.150950D+02  0.325590D+01  0.208214D+01  0.243137D+01
      6   0.452847D+01  0.441761D+01  0.315081D+01  0.611475D+00  0.294306D+01
               106           107           108           109           110 
      1   0.334977D+01  0.858118D+00  0.481670D+01  0.591814D+00  0.567064D+01
      2  -0.286023D+01 -0.221786D+01 -0.453138D+01 -0.223335D+01 -0.338467D+01
      3  -0.489541D+00  0.135975D+01 -0.285319D+00  0.164153D+01 -0.228597D+01
      4   0.244034D+01  0.222646D+00  0.517646D+01  0.197877D+01 -0.196114D+01
      5   0.113441D+02  0.425453D+01  0.660178D+01  0.270389D+01 -0.239258D-01
      6   0.313797D+01  0.273933D+01  0.332859D+01  0.348282D+01 -0.339973D+01
               111           112           113           114           115 
      1   0.102801D+02  0.275260D+01 -0.721532D+01 -0.455261D+01  0.789759D+01
      2   0.107924D+00 -0.190098D+01  0.334388D+01  0.175696D+01 -0.364767D+01
      3  -0.103880D+02 -0.851622D+00  0.387144D+01  0.279565D+01 -0.424992D+01
      4   0.107618D+01  0.187462D+01  0.190233D+01  0.367651D+01  0.379399D+01
      5  -0.386615D+01  0.164821D+01  0.252366D+01  0.552043D+01  0.513699D+01
      6  -0.600394D+01 -0.766031D+00  0.579118D+01  0.104229D+02  0.558309D+00
               116           117           118           119           120 
      1  -0.736246D+01 -0.229713D+02  0.579679D+00 -0.249779D+00 -0.212713D+01
      2   0.158532D+01 -0.883471D+01 -0.402226D+01 -0.544931D-01 -0.115887D+00
      3   0.577714D+01  0.318060D+02  0.344258D+01  0.304272D+00  0.224301D+01
      4   0.839895D+01  0.771411D+01 -0.126657D+01  0.260748D+01  0.378449D+00
      5   0.892315D+01  0.285622D+02 -0.529093D+00  0.134913D+01  0.635860D+01
      6   0.115848D+02  0.215879D+02  0.136972D+01  0.237463D+00 -0.412795D-01
               121           122           123           124           125 
      1   0.911786D+00 -0.644454D+01 -0.539365D+01 -0.126809D+01 -0.252702D+01
      2  -0.608523D+00  0.203089D+01 -0.220499D+01  0.131253D+01 -0.254822D+01
      3  -0.303264D+00  0.441366D+01  0.759864D+01 -0.444383D-01  0.507523D+01
      4   0.220165D+01 -0.248620D+01 -0.215521D+01  0.769139D-01 -0.311538D+01
      5   0.209497D+01 -0.233221D+01 -0.323863D+01  0.572788D+01 -0.232718D+01
      6  -0.139095D+00  0.238445D+01  0.672493D+01 -0.560861D+00  0.604813D+01
               126           127           128           129           130 
      1  -0.236110D+02 -0.738863D+01  0.190271D+02  0.674293D+00  0.105629D+02
      2  -0.122979D+02  0.967416D+01 -0.271559D+02 -0.140072D+01 -0.134821D+02
      3   0.359089D+02 -0.228554D+01  0.812882D+01  0.726429D+00  0.291922D+01
      4  -0.397232D+01 -0.503283D+01  0.223356D+01 -0.686497D+00  0.632957D+01
      5  -0.118101D+02  0.544966D+00 -0.894203D+00  0.148067D+01 -0.942652D+00
      6   0.212185D+01  0.186367D+00  0.268461D+00 -0.234768D+01  0.238580D+00
               131           132           133           134           135 
      1  -0.345467D+02 -0.361459D+00  0.379268D+01 -0.624686D+01 -0.406949D+01
      2   0.535616D+02  0.150102D+01 -0.343736D+01  0.964141D+01  0.485857D+01
      3  -0.190149D+02 -0.113956D+01 -0.355312D+00 -0.339455D+01 -0.789073D+00
      4   0.845244D+01 -0.402747D+00  0.387512D+00  0.141300D+01  0.209327D+01
      5   0.262344D+00  0.246003D+01  0.354860D+01  0.255081D+01  0.111636D-01
      6  -0.910777D+00  0.758232D+01  0.686071D+00  0.818568D+01  0.163870D+01
               136           137           138           139           140 
      1   0.114146D+02  0.104081D+01 -0.210712D+01  0.325400D+01 -0.535106D+01
      2  -0.489403D+01  0.211071D+01  0.733954D+00 -0.741378D+00  0.936484D+01
      3  -0.652057D+01 -0.315152D+01  0.137317D+01 -0.251262D+01 -0.401378D+01
      4   0.166418D+02  0.138955D+02 -0.110864D+02  0.999937D+01  0.111829D+02
      5  -0.164760D+02 -0.950783D+01  0.173976D+02 -0.542152D+01 -0.854255D+01
      6  -0.100418D+02 -0.892363D+01  0.120093D+02 -0.632973D+01 -0.989136D+01
               141           142           143           144           145 
      1   0.263224D+01 -0.203617D+00  0.632841D+01 -0.599574D+01  0.149958D+02
      2  -0.399237D+01 -0.788442D+00 -0.730971D+01 -0.240457D+01 -0.102628D+02
      3   0.136013D+01  0.992059D+00  0.981299D+00  0.840031D+01 -0.473299D+01
      4  -0.882136D+01 -0.164669D+02 -0.152848D+02  0.148983D+02 -0.239376D+02
      5   0.762479D+01  0.202295D+02  0.135890D+02 -0.246943D+02  0.260511D+02
      6   0.955861D+01  0.148537D+02  0.163578D+02 -0.223105D+02 -0.128862D+02
               146           147           148           149           150 
      1  -0.880066D+00  0.179021D+01 -0.951393D+00 -0.337902D+01  0.180210D+01
      2  -0.152337D+01 -0.620658D+01 -0.610492D+00  0.713034D+01 -0.117515D+01
      3   0.240343D+01  0.441637D+01  0.156189D+01 -0.375132D+01 -0.626942D+00
      4   0.186797D+02 -0.160334D+02  0.129536D+02 -0.135023D+02  0.972735D+01
      5  -0.137681D+02  0.235715D+02 -0.872973D+01  0.868103D+01 -0.831834D+01
      6   0.127371D+02 -0.141968D+02  0.851651D+01 -0.103767D+02  0.998625D+01
               151           152           153           154           155 
      1   0.385030D+01  0.206097D+01 -0.342158D+01 -0.614722D+01 -0.108546D+02
      2  -0.588413D+01 -0.177382D+00 -0.748204D+01  0.751086D+01  0.166131D+02
      3   0.203383D+01 -0.188359D+01  0.109036D+02 -0.136363D+01 -0.575854D+01
      4  -0.136508D+02  0.105127D+02 -0.128938D+02  0.217086D+01  0.273084D+01
      5   0.194336D+02 -0.111614D+02  0.218716D+02 -0.112617D+01 -0.430661D+01
      6  -0.107803D+02  0.113896D+02 -0.157186D+02 -0.138669D+01 -0.184337D+01
               156           157           158           159           160 
      1   0.985112D+00 -0.670841D+01 -0.244373D+02 -0.105268D+01 -0.227110D+01
      2   0.223430D+01  0.100769D+02  0.405999D+02  0.532240D+01  0.362426D+01
      3  -0.321942D+01 -0.336849D+01 -0.161626D+02 -0.426971D+01 -0.135316D+01
      4  -0.119510D+01  0.509888D+01 -0.910101D+01  0.760360D+00  0.401815D+00
      5   0.647852D+00 -0.454200D+01 -0.467439D+01 -0.402427D+01  0.615882D+00
      6   0.210470D+01 -0.341190D+00 -0.615332D+01  0.640060D+01  0.331022D+00
               161           162           163           164           165 
      1  -0.917809D+01 -0.318719D+01 -0.674185D+01 -0.264486D+01  0.109635D+02
      2   0.148848D+02  0.429128D+01 -0.452313D+01  0.608708D+01  0.441512D+01
      3  -0.570668D+01 -0.110408D+01  0.112650D+02 -0.344222D+01 -0.153786D+02
      4  -0.359570D+01 -0.929088D+00  0.648539D+01 -0.144717D+01 -0.547181D+01
      5  -0.325995D+01 -0.209563D+01 -0.424400D+01 -0.812376D+00  0.271851D+01
      6   0.357737D+01  0.389508D+01 -0.206361D+01 -0.272621D+01  0.414711D+01
               166           167           168           169           170 
      1   0.179923D+01 -0.263898D+01 -0.659592D+01  0.823767D+01 -0.191110D+01
      2   0.352932D+01  0.544463D-01 -0.207203D+01  0.419587D+01 -0.205828D+01
      3  -0.532856D+01  0.258453D+01  0.866795D+01 -0.124335D+02  0.396939D+01
      4  -0.245790D+01  0.282433D+01  0.167861D+01 -0.717797D+01  0.258271D+01
      5   0.264094D+00 -0.872377D+00  0.205123D+01  0.562444D+01 -0.143197D+01
      6  -0.194402D+01  0.315790D+01  0.905664D+00  0.135687D+01  0.413889D+01
               171           172           173           174           175 
      1  -0.149818D+02 -0.301999D+01 -0.121162D+02 -0.532129D+01 -0.971637D+01
      2  -0.871638D+01  0.302767D+01  0.100434D+02  0.278480D+01  0.393895D+01
      3   0.236982D+02 -0.768541D-02  0.207279D+01  0.253649D+01  0.577741D+01
      4   0.417537D+01 -0.757082D+00 -0.411356D+01 -0.425848D+01  0.811519D+01
      5   0.221927D+01  0.206800D+01 -0.352472D+01 -0.282565D+01  0.242956D+01
      6  -0.623105D+01  0.150434D+01  0.666004D+01  0.537214D+01 -0.559203D+00
               176           177           178           179           180 
      1  -0.217476D+02 -0.132746D+02 -0.294296D+01 -0.138609D+02 -0.991702D+01
      2   0.258598D+02  0.930486D+01  0.224107D+01  0.997629D+01  0.301989D+01
      3  -0.411223D+01  0.396973D+01  0.701890D+00  0.388457D+01  0.689713D+01
      4  -0.284616D+02 -0.132511D+02  0.510334D+00 -0.133542D+02 -0.909758D+01
      5  -0.133319D+02 -0.108942D+02  0.470082D+01 -0.912929D+01 -0.131119D+02
      6   0.200514D+02  0.149973D+02 -0.140999D+00  0.143544D+02  0.128295D+02
               181           182           183           184           185 
      1   0.685213D+02 -0.178224D+02  0.128915D+02 -0.163455D+02  0.828961D+01
      2  -0.277062D+02  0.286504D+01 -0.346042D+01  0.179003D+01  0.156548D+01
      3  -0.408151D+02  0.149574D+02 -0.943105D+01  0.145555D+02 -0.985508D+01
      4  -0.357170D+02  0.206692D+02 -0.820267D+01  0.214971D+02 -0.166657D+02
      5   0.783743D+01 -0.396282D+01  0.129174D+02 -0.361411D+01  0.115947D+01
      6  -0.326898D+01  0.133469D+01 -0.387543D+01  0.127773D+01  0.198878D+00
               186           187           188           189           190 
      1  -0.524467D+01  0.306511D+02 -0.955713D+01  0.106281D+02  0.184601D+02
      2   0.143132D+01 -0.108187D+02  0.181620D+01 -0.501835D+01 -0.128137D+02
      3   0.381335D+01 -0.198324D+02  0.774093D+01 -0.560971D+01 -0.564643D+01
      4   0.361305D+01 -0.198419D+02  0.118241D+02 -0.688569D+01  0.207825D+01
      5  -0.320312D+01  0.128620D+02 -0.416471D+01  0.116305D+02 -0.133741D+02
      6   0.379321D+01 -0.432687D+01  0.354355D+01 -0.475857D+01 -0.124689D+01
               191           192           193           194           195 
      1   0.430968D+01 -0.849110D+01  0.143926D+02  0.288428D+01 -0.880885D+01
      2  -0.460976D+01  0.986371D+01 -0.113905D+02 -0.448107D+01  0.123770D+02
      3   0.300085D+00 -0.137261D+01 -0.300206D+01  0.159679D+01 -0.356817D+01
      4   0.603692D+01 -0.560639D+01  0.545658D+01  0.134088D+02 -0.891210D+01
      5  -0.788494D+01  0.149686D+02 -0.150428D+02 -0.106442D+02  0.180677D+02
      6  -0.331508D+00  0.968498D-01 -0.238077D+00 -0.365369D+01  0.283353D+01
               196           197           198           199           200 
      1  -0.119059D+02 -0.617127D+01  0.730751D+01 -0.144342D+00 -0.161614D+01
      2   0.136184D+02  0.951684D+01 -0.182384D+02  0.153488D+01  0.144650D+01
      3  -0.171247D+01 -0.334558D+01  0.109309D+02 -0.139054D+01  0.169641D+00
      4  -0.509322D+01 -0.108063D+02  0.682051D+01 -0.847302D+00  0.116335D+01
      5   0.211783D+02  0.101662D+02 -0.313898D+02 -0.332653D+01  0.949705D+00
      6  -0.537892D+00  0.502636D+01  0.719086D+00  0.558529D+00  0.565074D-01
               201           202           203           204           205 
      1  -0.204844D+01 -0.240731D+01 -0.920427D+00 -0.454646D+01 -0.391885D+01
      2   0.170804D+01 -0.122882D+01  0.122039D+01  0.238153D+01  0.308417D+01
      3   0.340402D+00  0.363613D+01 -0.299963D+00  0.216493D+01  0.834683D+00
      4   0.174385D+01  0.924546D+00 -0.100427D+01 -0.222622D+01  0.238021D+01
      5   0.349030D+01  0.574437D+00 -0.704727D+00 -0.205680D+01  0.371358D+01
      6  -0.237709D+00 -0.768798D+00  0.344091D+01  0.309040D+01 -0.476012D-01
               206           207           208           209           210 
      1  -0.522441D+01 -0.788987D+01  0.334731D+00  0.115843D+01  0.269217D+01
      2   0.420450D+01  0.135480D+01 -0.220394D+01 -0.615130D+00 -0.762101D+00
      3   0.101991D+01  0.653506D+01  0.186921D+01 -0.543300D+00 -0.193007D+01
      4  -0.215789D+01 -0.391852D+01  0.161302D+01  0.188069D+01  0.186177D+01
      5  -0.321895D+01 -0.688608D+01  0.297095D+01  0.218146D+01  0.622656D+01
      6   0.438171D+01  0.651772D+01  0.204918D+01 -0.456738D-01  0.589928D+00
               211           212           213           214           215 
      1   0.245663D+01 -0.631738D+01 -0.801745D+01  0.353720D+01 -0.760748D+01
      2  -0.339594D+01  0.170439D+01 -0.366149D+00 -0.292348D+01  0.111254D+01
      3   0.939309D+00  0.461299D+01  0.838360D+01 -0.613717D+00  0.649493D+01
      4  -0.351204D+00  0.344871D+01  0.397500D+01  0.240927D+01  0.449198D+01
      5   0.323443D+01  0.483576D+01  0.847422D+01  0.509044D+01  0.651133D+01
      6  -0.644263D+00  0.534537D+01  0.661825D+01  0.154407D+01  0.816572D+01
               216           217           218           219           220 
      1  -0.237092D+02  0.268484D+01 -0.799158D+01 -0.586699D+01 -0.108649D+02
      2  -0.649569D+01  0.111318D+00  0.646490D+01  0.154141D+01  0.553204D+01
      3   0.302049D+02 -0.279616D+01  0.152668D+01  0.432558D+01  0.533281D+01
      4   0.538354D+01 -0.259128D+01 -0.358789D+01 -0.137182D+01  0.642095D+01
      5   0.220849D+02 -0.829263D+00  0.195415D+00 -0.415868D+01  0.762996D+01
      6   0.924853D+01  0.180496D+01  0.378862D+01  0.177022D+01 -0.135294D+01
               221           222           223           224           225 
      1  -0.202770D+02 -0.400842D+01 -0.402965D+01 -0.283772D+01 -0.667953D+01
      2   0.272372D+02  0.239145D+01  0.195584D+01  0.102339D+00  0.213040D+01
      3  -0.696024D+01  0.161697D+01  0.207381D+01  0.273538D+01  0.454913D+01
      4  -0.426754D+02 -0.106133D+02 -0.111967D+01 -0.276189D+01 -0.362149D+01
      5  -0.820870D+01 -0.117605D+02  0.983535D+00 -0.345070D+01 -0.369874D+01
      6   0.194066D+02  0.100374D+02  0.801512D-01  0.656131D+01  0.248460D+01
               226           227           228           229           230 
      1  -0.534371D+01  0.621659D+01 -0.158433D+02  0.837502D+01 -0.112563D+02
      2  -0.592393D+00 -0.114106D+01 -0.365407D+00 -0.393694D+01  0.423367D+01
      3   0.593610D+01 -0.507553D+01  0.162087D+02 -0.443808D+01  0.702265D+01
      4   0.378981D+01 -0.575045D+01  0.135681D+01 -0.143655D+01  0.474695D+01
      5  -0.215143D+00 -0.148091D+00 -0.958627D+01 -0.313243D+01 -0.645802D+01
      6  -0.261890D+01  0.452242D+01 -0.264470D+01  0.193086D+01 -0.550260D+01
               231           232           233           234           235 
      1   0.889428D+01 -0.162870D+02  0.715645D+01 -0.219818D+02  0.816117D+02
      2   0.342219D+01  0.563036D+01  0.139721D+01 -0.727683D+01 -0.458644D+02
      3  -0.123165D+02  0.106566D+02 -0.855365D+01  0.292587D+02 -0.357473D+02
      4  -0.812836D+01  0.345792D+01 -0.853800D+01  0.696905D+01 -0.763066D+01
      5   0.127652D+02  0.249339D+01  0.561884D+01 -0.225412D+02 -0.434926D+02
      6   0.877513D+01 -0.175149D+01  0.692144D+01 -0.608063D+01  0.650731D-01
               236           237           238           239           240 
      1  -0.983454D+00 -0.217699D+02  0.573370D+01  0.592144D+01 -0.144153D+01
      2  -0.309593D+00  0.162934D+02 -0.337647D+01 -0.200822D+01  0.212830D+01
      3   0.129305D+01  0.547652D+01 -0.235723D+01 -0.391322D+01 -0.686772D+00
      4   0.124560D+02  0.212645D+01  0.102513D+02 -0.122343D+01 -0.429922D+01
      5   0.542271D+00  0.253555D+02 -0.366631D+01 -0.530656D+01  0.364910D+01
      6  -0.408372D+01 -0.980506D+00 -0.342999D+01  0.369280D+00  0.274658D+01
               241           242           243 
      1  -0.114734D+02  0.281164D+00  0.850960D+01
      2   0.101938D+02  0.618544D+00 -0.893587D+01
      3   0.127968D+01 -0.899708D+00  0.426278D+00
      4   0.808620D+00 -0.247793D+01  0.428737D+00
      5   0.172887D+02  0.951718D+00 -0.123836D+02
      6  -0.130960D+01  0.218059D+01 -0.130185D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 22:34:49 2021, MaxMem=  5637144576 cpu:           31064.9 elap:            3892.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90804 -10.13135 -10.07039 -10.06663 -10.05670
 Alpha  occ. eigenvalues --  -10.05051 -10.04859 -10.04340 -10.04268 -10.03722
 Alpha  occ. eigenvalues --  -10.03476  -1.12520  -0.97864  -0.90670  -0.85781
 Alpha  occ. eigenvalues --   -0.83896  -0.79835  -0.78385  -0.72353  -0.70272
 Alpha  occ. eigenvalues --   -0.64581  -0.61982  -0.59214  -0.58081  -0.56147
 Alpha  occ. eigenvalues --   -0.55553  -0.54702  -0.53549  -0.52153  -0.50455
 Alpha  occ. eigenvalues --   -0.49224  -0.48746  -0.47677  -0.46524  -0.46104
 Alpha  occ. eigenvalues --   -0.45297  -0.44595  -0.41401  -0.40687  -0.39469
 Alpha  occ. eigenvalues --   -0.35802  -0.34000
 Alpha virt. eigenvalues --    0.01123   0.02643   0.03316   0.03732   0.03971
 Alpha virt. eigenvalues --    0.05138   0.05414   0.05661   0.05820   0.06091
 Alpha virt. eigenvalues --    0.07191   0.07623   0.08226   0.08619   0.08888
 Alpha virt. eigenvalues --    0.09848   0.09882   0.10676   0.10886   0.11949
 Alpha virt. eigenvalues --    0.12441   0.12743   0.13456   0.13545   0.13716
 Alpha virt. eigenvalues --    0.14576   0.14644   0.15006   0.15160   0.15375
 Alpha virt. eigenvalues --    0.15855   0.16101   0.16648   0.16989   0.17109
 Alpha virt. eigenvalues --    0.17549   0.17664   0.18300   0.18467   0.18700
 Alpha virt. eigenvalues --    0.19301   0.19377   0.19671   0.20484   0.21003
 Alpha virt. eigenvalues --    0.21229   0.21482   0.21830   0.22266   0.23001
 Alpha virt. eigenvalues --    0.23345   0.23587   0.24114   0.25339   0.25646
 Alpha virt. eigenvalues --    0.25767   0.27188   0.27782   0.28150   0.28320
 Alpha virt. eigenvalues --    0.28930   0.29529   0.30079   0.30601   0.31036
 Alpha virt. eigenvalues --    0.31711   0.31978   0.32495   0.33023   0.33707
 Alpha virt. eigenvalues --    0.34249   0.35214   0.35575   0.35850   0.36129
 Alpha virt. eigenvalues --    0.36793   0.37142   0.37330   0.38393   0.38596
 Alpha virt. eigenvalues --    0.39269   0.39454   0.40091   0.40589   0.41069
 Alpha virt. eigenvalues --    0.41133   0.42487   0.42692   0.43117   0.43371
 Alpha virt. eigenvalues --    0.43601   0.44451   0.44489   0.45125   0.45341
 Alpha virt. eigenvalues --    0.46062   0.46464   0.47253   0.47476   0.48444
 Alpha virt. eigenvalues --    0.49157   0.49751   0.50299   0.50443   0.51025
 Alpha virt. eigenvalues --    0.51842   0.52631   0.52948   0.53376   0.53797
 Alpha virt. eigenvalues --    0.54700   0.54912   0.55340   0.55961   0.56527
 Alpha virt. eigenvalues --    0.57604   0.58015   0.58354   0.59227   0.59954
 Alpha virt. eigenvalues --    0.60532   0.60986   0.61160   0.61262   0.61862
 Alpha virt. eigenvalues --    0.62450   0.62532   0.63342   0.63728   0.64207
 Alpha virt. eigenvalues --    0.64736   0.64888   0.65996   0.66142   0.66970
 Alpha virt. eigenvalues --    0.67810   0.68661   0.68894   0.69036   0.69938
 Alpha virt. eigenvalues --    0.70444   0.71453   0.72033   0.72183   0.72599
 Alpha virt. eigenvalues --    0.72979   0.73175   0.74226   0.75091   0.75277
 Alpha virt. eigenvalues --    0.75821   0.75872   0.76544   0.77107   0.77811
 Alpha virt. eigenvalues --    0.78415   0.78637   0.79008   0.80137   0.80561
 Alpha virt. eigenvalues --    0.81260   0.82138   0.82662   0.83590   0.83937
 Alpha virt. eigenvalues --    0.84379   0.85904   0.86699   0.86749   0.87052
 Alpha virt. eigenvalues --    0.87500   0.88489   0.88885   0.90078   0.90901
 Alpha virt. eigenvalues --    0.91400   0.92815   0.93062   0.93996   0.95212
 Alpha virt. eigenvalues --    0.95551   0.96541   0.96903   0.98348   0.99220
 Alpha virt. eigenvalues --    1.01686   1.01986   1.02759   1.04734   1.05510
 Alpha virt. eigenvalues --    1.05607   1.06163   1.07259   1.08753   1.09762
 Alpha virt. eigenvalues --    1.11187   1.11784   1.13061   1.13927   1.14763
 Alpha virt. eigenvalues --    1.15861   1.16391   1.19348   1.20608   1.22445
 Alpha virt. eigenvalues --    1.23756   1.24508   1.25559   1.26307   1.26534
 Alpha virt. eigenvalues --    1.28583   1.29238   1.32195   1.32504   1.34322
 Alpha virt. eigenvalues --    1.36025   1.36568   1.38354   1.39718   1.41443
 Alpha virt. eigenvalues --    1.43961   1.45310   1.46547   1.47844   1.49041
 Alpha virt. eigenvalues --    1.50465   1.52371   1.53148   1.54005   1.54585
 Alpha virt. eigenvalues --    1.56671   1.57840   1.58432   1.59762   1.60730
 Alpha virt. eigenvalues --    1.62866   1.63983   1.64559   1.65155   1.66698
 Alpha virt. eigenvalues --    1.67345   1.67885   1.69381   1.70484   1.71176
 Alpha virt. eigenvalues --    1.71701   1.74029   1.74253   1.75607   1.76405
 Alpha virt. eigenvalues --    1.76835   1.78132   1.79413   1.80419   1.80692
 Alpha virt. eigenvalues --    1.81010   1.83010   1.83367   1.84597   1.87420
 Alpha virt. eigenvalues --    1.88211   1.88811   1.89064   1.90319   1.91607
 Alpha virt. eigenvalues --    1.93479   1.94151   1.95326   1.96474   1.98538
 Alpha virt. eigenvalues --    1.98985   1.99228   2.01725   2.03266   2.04468
 Alpha virt. eigenvalues --    2.06387   2.07643   2.08048   2.08544   2.09343
 Alpha virt. eigenvalues --    2.11281   2.11404   2.12903   2.13533   2.14936
 Alpha virt. eigenvalues --    2.16461   2.16876   2.17783   2.19111   2.19763
 Alpha virt. eigenvalues --    2.20479   2.22091   2.23710   2.24468   2.25734
 Alpha virt. eigenvalues --    2.27515   2.28250   2.30298   2.31153   2.31897
 Alpha virt. eigenvalues --    2.32787   2.33637   2.34412   2.35943   2.37880
 Alpha virt. eigenvalues --    2.39284   2.41190   2.42920   2.45561   2.46124
 Alpha virt. eigenvalues --    2.47190   2.47445   2.49158   2.49398   2.53178
 Alpha virt. eigenvalues --    2.54038   2.55189   2.57717   2.59252   2.60842
 Alpha virt. eigenvalues --    2.63682   2.64747   2.65803   2.66488   2.68366
 Alpha virt. eigenvalues --    2.68959   2.69766   2.71529   2.73818   2.74874
 Alpha virt. eigenvalues --    2.75442   2.77716   2.82007   2.83561   2.85031
 Alpha virt. eigenvalues --    2.86736   2.90909   2.92976   2.95250   2.97964
 Alpha virt. eigenvalues --    3.02294   3.11961   3.20307   3.24153   3.27504
 Alpha virt. eigenvalues --    3.40819   3.48170   3.50080   3.52776   3.54659
 Alpha virt. eigenvalues --    3.67930   3.74231   3.81600   3.99322   5.11304
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.117464  -0.564393   0.345803  -0.071467  -0.156641   0.007461
     2  C   -0.564393  10.431600  -4.667827   1.860189  -0.356779  -0.167325
     3  C    0.345803  -4.667827  23.513809  -8.381979   0.378329   0.043304
     4  C   -0.071467   1.860189  -8.381979  17.383774  -4.980669  -1.429510
     5  C   -0.156641  -0.356779   0.378329  -4.980669  15.865978  -2.295160
     6  C    0.007461  -0.167325   0.043304  -1.429510  -2.295160   9.290121
     7  O    0.000226  -0.004145  -0.005646  -0.020860  -0.160830   0.301645
     8  C   -0.382664  -0.448580  -0.062151  -0.302045  -0.001488  -0.002249
     9  C   -0.281879  -1.142007   1.677494  -0.807076   0.190158   0.035522
    10  C   -0.231482   1.682032  -4.093830   1.151987  -0.400229  -0.149190
    11  C   -0.024281   0.023809  -0.252577  -0.032760  -0.202643   0.308104
    12  H    0.153883  -0.043716  -0.287324   0.075207  -0.029186   0.001863
    13  H   -0.282454   0.219022   0.141232   0.200291   0.057702   0.000883
    14  H   -0.204769   0.312246  -3.364856   0.974353  -0.185073  -0.031164
    15  H    0.009464  -0.099221  -0.706968   0.172777   0.155971  -0.005081
    16  H    0.025653   0.086489   0.269456   0.330278  -0.052384   0.000790
    17  H   -0.015951  -0.143268   0.208541  -0.058853   0.024105   0.004517
    18  H    0.348705  -0.026141  -0.048085   0.017218   0.017848  -0.000919
    19  H    0.149069   0.416843  -0.491399   0.135732  -0.060611  -0.011926
    20  H    0.030523  -0.098772  -0.052140   0.092026   0.000427   0.009842
    21  H    0.028301  -0.071034  -0.023845   0.030915  -0.010483  -0.001133
    22  H   -0.048111   0.752759  -0.141426  -0.040745  -0.005228  -0.003647
    23  H    0.086656  -0.262438   0.163808  -1.540468  -1.503587   0.131969
    24  H    0.029590  -0.028789   0.045812   0.532583  -1.714502  -0.052757
    25  H    0.002363  -0.015405   0.039118   0.060224  -0.202571   0.028229
    26  H   -0.002315  -0.010963   0.001070   0.064426  -0.204832   0.029247
    27  H   -0.002285   0.004700   0.006351  -0.032237   0.336948  -0.037493
               7          8          9         10         11         12
     1  C    0.000226  -0.382664  -0.281879  -0.231482  -0.024281   0.153883
     2  C   -0.004145  -0.448580  -1.142007   1.682032   0.023809  -0.043716
     3  C   -0.005646  -0.062151   1.677494  -4.093830  -0.252577  -0.287324
     4  C   -0.020860  -0.302045  -0.807076   1.151987  -0.032760   0.075207
     5  C   -0.160830  -0.001488   0.190158  -0.400229  -0.202643  -0.029186
     6  C    0.301645  -0.002249   0.035522  -0.149190   0.308104   0.001863
     7  O    8.457166   0.000918   0.000436   0.001053   0.005142  -0.000024
     8  C    0.000918   5.978236  -0.341932   0.253445   0.006420   0.013892
     9  C    0.000436  -0.341932   7.197179  -0.989263  -0.008218  -0.499960
    10  C    0.001053   0.253445  -0.989263   8.121375  -0.017201   0.253299
    11  C    0.005142   0.006420  -0.008218  -0.017201   4.943302  -0.000057
    12  H   -0.000024   0.013892  -0.499960   0.253299  -0.000057   2.743005
    13  H    0.000358  -0.009547  -0.410013  -0.184462   0.007458  -0.829684
    14  H   -0.001367   0.043450   0.015881   0.664765   0.030879   0.039954
    15  H   -0.000670  -0.075664   0.203665  -0.070159  -0.005861   0.194425
    16  H    0.000112   0.031564  -0.104117  -0.751779   0.002166  -0.273803
    17  H    0.000028   0.173885   0.026474  -0.063895  -0.000197   0.016563
    18  H    0.000613  -0.087385   0.025783  -0.032056  -0.000538   0.000137
    19  H   -0.001272  -0.052537  -0.191445   0.241714  -0.014178   0.033136
    20  H   -0.000066   0.217499  -0.024323   0.018853   0.001782   0.021674
    21  H   -0.000001   0.161446   0.054699   0.026122  -0.000195  -0.042268
    22  H    0.000061  -0.092880  -0.100328  -0.079400  -0.000273  -0.046451
    23  H   -0.005946   0.062874  -0.140469  -0.266729   0.046998   0.044584
    24  H   -0.088381  -0.003682  -0.007400   0.000363  -0.091613   0.002142
    25  H    0.028747  -0.000692   0.006884  -0.022297   0.414617  -0.000522
    26  H    0.033190  -0.000566   0.013121  -0.016375   0.449174  -0.000585
    27  H   -0.040138   0.000249  -0.000858   0.003732  -0.042981   0.000063
              13         14         15         16         17         18
     1  C   -0.282454  -0.204769   0.009464   0.025653  -0.015951   0.348705
     2  C    0.219022   0.312246  -0.099221   0.086489  -0.143268  -0.026141
     3  C    0.141232  -3.364856  -0.706968   0.269456   0.208541  -0.048085
     4  C    0.200291   0.974353   0.172777   0.330278  -0.058853   0.017218
     5  C    0.057702  -0.185073   0.155971  -0.052384   0.024105   0.017848
     6  C    0.000883  -0.031164  -0.005081   0.000790   0.004517  -0.000919
     7  O    0.000358  -0.001367  -0.000670   0.000112   0.000028   0.000613
     8  C   -0.009547   0.043450  -0.075664   0.031564   0.173885  -0.087385
     9  C   -0.410013   0.015881   0.203665  -0.104117   0.026474   0.025783
    10  C   -0.184462   0.664765  -0.070159  -0.751779  -0.063895  -0.032056
    11  C    0.007458   0.030879  -0.005861   0.002166  -0.000197  -0.000538
    12  H   -0.829684   0.039954   0.194425  -0.273803   0.016563   0.000137
    13  H    2.919520  -0.032871  -0.303134   0.200004  -0.021622   0.012405
    14  H   -0.032871   3.737288   0.183263  -0.210049  -0.002567   0.004705
    15  H   -0.303134   0.183263   2.622265  -0.715597   0.005636  -0.002322
    16  H    0.200004  -0.210049  -0.715597   2.674401  -0.003353  -0.000559
    17  H   -0.021622  -0.002567   0.005636  -0.003353   1.844515  -0.356173
    18  H    0.012405   0.004705  -0.002322  -0.000559  -0.356173   1.623361
    19  H   -0.095163  -0.001777   0.009029   0.000058  -0.495138  -0.374091
    20  H   -0.014689  -0.020138   0.001388   0.002270   0.031815  -0.050594
    21  H    0.025922   0.015837  -0.004704   0.010670  -0.047884   0.017707
    22  H    0.016901  -0.056742  -0.005123  -0.012521   0.020810   0.011627
    23  H   -0.098058   0.067464  -0.012322   0.026947  -0.007602  -0.035439
    24  H   -0.012277  -0.133637   0.009104  -0.002011   0.000232  -0.009126
    25  H    0.000051   0.002866  -0.003314  -0.000417   0.000023   0.001717
    26  H    0.004488   0.004373  -0.001422  -0.001189   0.004234   0.003088
    27  H    0.000543  -0.000310   0.001719   0.000444  -0.000519   0.000043
              19         20         21         22         23         24
     1  C    0.149069   0.030523   0.028301  -0.048111   0.086656   0.029590
     2  C    0.416843  -0.098772  -0.071034   0.752759  -0.262438  -0.028789
     3  C   -0.491399  -0.052140  -0.023845  -0.141426   0.163808   0.045812
     4  C    0.135732   0.092026   0.030915  -0.040745  -1.540468   0.532583
     5  C   -0.060611   0.000427  -0.010483  -0.005228  -1.503587  -1.714502
     6  C   -0.011926   0.009842  -0.001133  -0.003647   0.131969  -0.052757
     7  O   -0.001272  -0.000066  -0.000001   0.000061  -0.005946  -0.088381
     8  C   -0.052537   0.217499   0.161446  -0.092880   0.062874  -0.003682
     9  C   -0.191445  -0.024323   0.054699  -0.100328  -0.140469  -0.007400
    10  C    0.241714   0.018853   0.026122  -0.079400  -0.266729   0.000363
    11  C   -0.014178   0.001782  -0.000195  -0.000273   0.046998  -0.091613
    12  H    0.033136   0.021674  -0.042268  -0.046451   0.044584   0.002142
    13  H   -0.095163  -0.014689   0.025922   0.016901  -0.098058  -0.012277
    14  H   -0.001777  -0.020138   0.015837  -0.056742   0.067464  -0.133637
    15  H    0.009029   0.001388  -0.004704  -0.005123  -0.012322   0.009104
    16  H    0.000058   0.002270   0.010670  -0.012521   0.026947  -0.002011
    17  H   -0.495138   0.031815  -0.047884   0.020810  -0.007602   0.000232
    18  H   -0.374091  -0.050594   0.017707   0.011627  -0.035439  -0.009126
    19  H    1.954600   0.015775   0.014213  -0.033234   0.112754   0.019091
    20  H    0.015775   1.801136  -0.407043  -0.441786   0.017682   0.008560
    21  H    0.014213  -0.407043   1.859447  -0.458013   0.001367  -0.000407
    22  H   -0.033234  -0.441786  -0.458013   2.004129  -0.011154  -0.003702
    23  H    0.112754   0.017682   0.001367  -0.011154   5.385102   0.289062
    24  H    0.019091   0.008560  -0.000407  -0.003702   0.289062   3.128273
    25  H    0.000276  -0.000070  -0.000125   0.000078  -0.087166  -0.022658
    26  H   -0.034750   0.000077  -0.000514   0.000225  -0.073631  -0.023611
    27  H    0.002833   0.000015   0.000084  -0.000055   0.003875   0.007401
              25         26         27
     1  C    0.002363  -0.002315  -0.002285
     2  C   -0.015405  -0.010963   0.004700
     3  C    0.039118   0.001070   0.006351
     4  C    0.060224   0.064426  -0.032237
     5  C   -0.202571  -0.204832   0.336948
     6  C    0.028229   0.029247  -0.037493
     7  O    0.028747   0.033190  -0.040138
     8  C   -0.000692  -0.000566   0.000249
     9  C    0.006884   0.013121  -0.000858
    10  C   -0.022297  -0.016375   0.003732
    11  C    0.414617   0.449174  -0.042981
    12  H   -0.000522  -0.000585   0.000063
    13  H    0.000051   0.004488   0.000543
    14  H    0.002866   0.004373  -0.000310
    15  H   -0.003314  -0.001422   0.001719
    16  H   -0.000417  -0.001189   0.000444
    17  H    0.000023   0.004234  -0.000519
    18  H    0.001717   0.003088   0.000043
    19  H    0.000276  -0.034750   0.002833
    20  H   -0.000070   0.000077   0.000015
    21  H   -0.000125  -0.000514   0.000084
    22  H    0.000078   0.000225  -0.000055
    23  H   -0.087166  -0.073631   0.003875
    24  H   -0.022658  -0.023611   0.007401
    25  H    1.167201  -0.111392  -0.298149
    26  H   -0.111392   1.132815  -0.305421
    27  H   -0.298149  -0.305421   1.734188
 Mulliken charges:
               1
     1  C    0.933529
     2  C   -1.638886
     3  C    1.745927
     4  C    0.616688
     5  C    1.495428
     6  C   -0.005944
     7  O   -0.500347
     8  C    0.920185
     9  C    1.601992
    10  C    0.949605
    11  C    0.453720
    12  H   -0.540246
    13  H   -0.512807
    14  H   -0.852003
    15  H   -0.557145
    16  H   -0.533521
    17  H   -0.144357
    18  H   -0.061529
    19  H   -0.247601
    20  H   -0.161724
    21  H   -0.179078
    22  H   -0.225771
    23  H   -1.396135
    24  H   -0.877657
    25  H    0.012384
    26  H    0.048036
    27  H   -0.342742
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.480041
     2  C   -1.638886
     3  C    0.893924
     4  C   -0.779447
     5  C    0.617771
     6  C   -0.005944
     7  O   -0.500347
     8  C    0.353611
     9  C    0.548940
    10  C   -0.141061
    11  C    0.171398
 Electronic spatial extent (au):  <R**2>=           2453.7980
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.6698    Y=              1.2013    Z=              1.7339  Tot=              4.2328
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -82.9693   YY=            -69.7069   ZZ=            -68.5277
   XY=             -4.7759   XZ=             -7.9886   YZ=             -0.1418
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.2346   YY=              4.0277   ZZ=              5.2069
   XY=             -4.7759   XZ=             -7.9886   YZ=             -0.1418
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             65.2322  YYY=             -0.7365  ZZZ=             -2.2687  XYY=             -1.7596
  XXY=             18.5273  XXZ=             28.9217  XZZ=             -0.4349  YZZ=              0.0000
  YYZ=              0.2567  XYZ=              1.0826
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2761.4803 YYYY=           -465.2286 ZZZZ=           -405.8323 XXXY=            -71.9958
 XXXZ=           -111.8348 YYYX=              1.2171 YYYZ=              5.5094 ZZZX=             -0.8044
 ZZZY=              1.4695 XXYY=           -499.9554 XXZZ=           -492.2680 YYZZ=           -147.1469
 XXYZ=            -22.5293 YYXZ=             -2.6131 ZZXY=              1.3546
 N-N= 6.101943807680D+02 E-N=-2.300626937702D+03  KE= 4.621047465509D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 22:34:49 2021, MaxMem=  5637144576 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.46430138D+00 4.66287825D-01 6.48282452D-01
 Polarizability= 1.60415177D+02 6.22841270D+00 1.04662517D+02
                 4.05450575D+00 4.09678593D+00 1.07452185D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.5760   -2.5759        3.5687    3.5686
 2      2.5760    2.5759       -2.1732   -2.1723      -30.3136  -30.3132
 3     -3.5687   -3.5686       28.7820   28.7807        2.1736    2.1723
 4      2.1732    2.1723        0.0000    0.0000       -3.5675   -3.5686
 5      1.5316    1.5325        3.5675    3.5686       -2.5749   -2.5759
 6     -2.1736   -2.1723        2.5749    2.5759       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        7.7276    7.7276       10.7058   10.7058
 2      6.5169    6.5169        0.0000    0.0000       10.7058   10.7058
 3      6.5169    6.5169        7.7276    7.7276       -0.0000    0.0000
 4      7.7276    7.7276       -6.5169   -6.5169      -90.9397  -90.9397
 5    -10.7058  -10.7058       86.3421   86.3421        6.5169    6.5169
 6      4.5976    4.5976       10.7058   10.7058       -7.7276   -7.7276
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0170    0.0000       10.2972   10.3035      -14.2429  -14.2744
 2    -10.3459  -10.3035        8.6974    8.6892      121.2656  121.2529
 3     14.2401   14.2744     -115.0882 -115.1228       -8.7831   -8.6892
 4     -8.6524   -8.6892        0.0064    0.0000       14.2699   14.2744
 5     -6.1464   -6.1301      -14.2931  -14.2744       10.3203   10.3035
 6      8.7019    8.6892      -10.3260  -10.3035        0.0113    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0877    0.0000       27.2270   27.3098      -22.1181  -22.1876
 2    -27.2888  -27.3098      -29.0328  -28.9537        5.7525    5.6693
 3     22.2255   22.1876       58.6839   58.6772       28.9868   28.9537
 4     28.9699   28.9537        0.0218    0.0000       22.1786   22.1876
 5    -64.3992  -64.3465      -22.2196  -22.1876       27.2901   27.3098
 6    -28.9919  -28.9537      -27.3206  -27.3098       -0.0186    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     49.6095   49.6135       33.1045   33.1045      -35.5933  -35.6314
 2     76.6360   76.5930       50.3776   50.3740      -35.5988  -35.6314
 3     76.6260   76.5930       33.1369   33.1045      -21.3279  -21.3598
 4    -17.3487  -17.2696      -27.0224  -26.9794       24.8901   24.8092
 5     14.3144   14.2715       56.6104   56.5679       27.0362   26.9794
 6    -81.4684  -81.3771      -14.2378  -14.2715       17.3048   17.2696
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.8724   -3.3814   -0.0006   -0.0003    0.0004    5.3328
 Low frequencies ---   38.5934   61.4722   73.8002
 Diagonal vibrational polarizability:
       18.0980461      53.8424345      15.2395415
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.5739                61.4698                73.7944
 Red. masses --      4.1603                 2.9417                 3.0486
 Frc consts  --      0.0036                 0.0065                 0.0098
 IR Inten    --      3.3453                 0.4598                 0.9407
 RamAct Fr= 1--      2.4924                 0.6078                 0.6482
  Dep-P Fr= 1--      0.7351                 0.7475                 0.5751
  Dep-U Fr= 1--      0.8473                 0.8555                 0.7302
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0021
 Beta2  Fr= 1--      0.3520                 0.0867                 0.0789
 AlphaG Fr= 1--     -0.0014                 0.0000                 0.0070
 Gamma2 Fr= 1--     -0.1123                 0.1603                 0.2933
 Delta2 Fr= 1--      0.0842                 0.0512                 0.0676
 Raman1 Fr= 1--       9.969                  2.431                  2.593
 ROA1   Fr= 1--      -8.086                 17.030                 30.325
 CID1   Fr= 1--      -0.811                  7.004                 11.695
 Raman2 Fr= 1--       4.224                  1.040                  0.947
 ROA2   Fr= 1--      -3.369                  3.438                  6.499
 CID2   Fr= 1--      -0.798                  3.306                  6.865
 Raman3 Fr= 1--       8.447                  2.080                  1.893
 ROA3   Fr= 1--      -8.086                 17.030                 30.325
 CID3   Fr= 1--      -0.957                  8.187                 16.016
 RC180  Fr= 1--       0.695                  0.711                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.05   0.11     0.08  -0.13  -0.08     0.18  -0.00   0.05
     2   6     0.05   0.01   0.03     0.02  -0.02  -0.00     0.07  -0.01  -0.01
     3   6    -0.01  -0.11   0.01     0.00  -0.09  -0.03    -0.03  -0.02   0.10
     4   6    -0.00  -0.13   0.03     0.01  -0.10  -0.01    -0.02  -0.07   0.12
     5   6    -0.03  -0.01  -0.01    -0.02  -0.06   0.00    -0.01  -0.03   0.07
     6   6    -0.04   0.04  -0.02    -0.01   0.04   0.02    -0.05   0.01  -0.03
     7   8    -0.09   0.28  -0.12    -0.04   0.03   0.06    -0.00  -0.02  -0.07
     8   6     0.06   0.01   0.05     0.15   0.14   0.03    -0.03  -0.01  -0.12
     9   6    -0.01   0.07  -0.07    -0.15   0.01   0.07     0.12  -0.01  -0.05
    10   6    -0.08  -0.05  -0.09    -0.07  -0.05  -0.02    -0.06   0.00   0.08
    11   6     0.02  -0.20   0.09     0.02   0.18  -0.03    -0.16   0.13  -0.10
    12   1    -0.02   0.13  -0.11    -0.17   0.10   0.21     0.12   0.01  -0.21
    13   1     0.00   0.11  -0.07    -0.29  -0.03   0.02     0.27  -0.04   0.02
    14   1    -0.02  -0.17   0.03     0.01  -0.11  -0.02    -0.06   0.01   0.09
    15   1    -0.13  -0.07  -0.13    -0.12  -0.06  -0.11    -0.08  -0.05   0.21
    16   1    -0.12  -0.06  -0.12     0.00  -0.07   0.03    -0.19   0.10   0.02
    17   1     0.17   0.14   0.11     0.08  -0.06  -0.04     0.25   0.02  -0.03
    18   1     0.17  -0.01   0.18     0.21  -0.16  -0.16     0.15  -0.02   0.11
    19   1     0.13   0.05   0.10    -0.03  -0.25  -0.11     0.25  -0.00   0.12
    20   1     0.10  -0.05   0.11     0.29   0.12  -0.04    -0.09  -0.00  -0.08
    21   1     0.10   0.10   0.05     0.16   0.22   0.06     0.03  -0.01  -0.22
    22   1     0.00  -0.02  -0.01     0.12   0.22   0.08    -0.12  -0.00  -0.16
    23   1     0.02  -0.21   0.07     0.02  -0.08  -0.02    -0.03  -0.10   0.14
    24   1    -0.06   0.10  -0.06    -0.05  -0.09   0.01     0.03   0.00   0.06
    25   1     0.12  -0.24   0.29     0.04   0.18  -0.15    -0.22   0.15  -0.19
    26   1    -0.02  -0.40  -0.02     0.02   0.24   0.01    -0.18   0.24  -0.00
    27   1     0.01  -0.15   0.07     0.02   0.22  -0.01    -0.17   0.10  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.6779               151.6878               155.2073
 Red. masses --      1.0329                 2.8305                 3.5188
 Frc consts  --      0.0095                 0.0384                 0.0499
 IR Inten    --      0.0320                 2.8155                 1.1385
 RamAct Fr= 1--      0.0602                 0.4147                 0.8976
  Dep-P Fr= 1--      0.7254                 0.6358                 0.5902
  Dep-U Fr= 1--      0.8409                 0.7774                 0.7423
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0027
 Beta2  Fr= 1--      0.0084                 0.0537                 0.1110
 AlphaG Fr= 1--     -0.0002                 0.0083                -0.0511
 Gamma2 Fr= 1--     -0.0298                -0.7346                 0.3115
 Delta2 Fr= 1--     -0.0101                 0.0971                 0.0878
 Raman1 Fr= 1--       0.241                  1.659                  3.590
 ROA1   Fr= 1--      -3.182                -67.413                 32.711
 CID1   Fr= 1--     -13.207                -40.636                  9.111
 Raman2 Fr= 1--       0.101                  0.645                  1.333
 ROA2   Fr= 1--      -0.634                -18.407                  6.773
 CID2   Fr= 1--      -6.260                -28.546                  5.083
 Raman3 Fr= 1--       0.203                  1.290                  2.665
 ROA3   Fr= 1--      -3.182                -67.413                 32.711
 CID3   Fr= 1--     -15.706                -52.272                 12.274
 RC180  Fr= 1--       0.682                  0.555                  0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.05   0.05     0.08  -0.04   0.04
     2   6     0.00   0.00  -0.00     0.01   0.01   0.00     0.01  -0.03   0.02
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.06   0.01
     4   6    -0.00   0.01   0.00    -0.02  -0.12  -0.10    -0.00   0.01   0.02
     5   6     0.00   0.00   0.01    -0.04   0.01  -0.17    -0.08   0.36  -0.12
     6   6    -0.00   0.01  -0.00     0.01   0.00  -0.05    -0.03   0.08  -0.02
     7   8     0.01  -0.03   0.01    -0.07  -0.02   0.09     0.03  -0.16   0.05
     8   6    -0.00   0.01  -0.01    -0.01  -0.05   0.01     0.04  -0.00   0.03
     9   6     0.00   0.00  -0.00     0.04  -0.00   0.00    -0.02  -0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.13   0.05   0.15     0.02  -0.06  -0.06
    11   6    -0.01   0.01  -0.01     0.19   0.05  -0.03    -0.06  -0.02   0.01
    12   1     0.00   0.00   0.00     0.04   0.02  -0.16    -0.02   0.00   0.04
    13   1    -0.00   0.00  -0.00     0.20  -0.07   0.09    -0.07   0.02  -0.03
    14   1    -0.01  -0.00   0.00     0.12   0.09  -0.04    -0.03  -0.09   0.02
    15   1     0.01   0.00  -0.00    -0.23  -0.08   0.35     0.04  -0.02  -0.13
    16   1     0.00  -0.00  -0.00    -0.23   0.29   0.15     0.05  -0.14  -0.07
    17   1     0.01  -0.00  -0.00     0.00   0.05   0.04     0.11   0.04   0.05
    18   1     0.01  -0.00  -0.01    -0.04   0.05   0.09     0.14  -0.09   0.06
    19   1     0.00  -0.01  -0.00     0.03   0.10   0.05     0.05  -0.08   0.04
    20   1    -0.00   0.01  -0.01    -0.04  -0.05   0.04     0.08  -0.04   0.05
    21   1     0.00   0.01  -0.01    -0.02  -0.06   0.01     0.05   0.05   0.03
    22   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.01     0.00  -0.01   0.01
    23   1    -0.00   0.03  -0.00    -0.05  -0.27  -0.04     0.07  -0.29   0.16
    24   1     0.01  -0.02   0.02    -0.09   0.12  -0.22    -0.13   0.64  -0.24
    25   1     0.52  -0.15   0.20     0.28   0.03  -0.07    -0.12  -0.01   0.10
    26   1    -0.44  -0.40   0.04     0.20   0.01  -0.07    -0.02  -0.05  -0.04
    27   1    -0.10   0.50  -0.22     0.20   0.15   0.06    -0.05  -0.13   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.0849               242.2429               268.9996
 Red. masses --      1.2364                 1.9348                 1.4194
 Frc consts  --      0.0350                 0.0669                 0.0605
 IR Inten    --      0.1062                 0.5001                 0.2434
 RamAct Fr= 1--      0.1655                 0.7420                 1.8090
  Dep-P Fr= 1--      0.4153                 0.3377                 0.2236
  Dep-U Fr= 1--      0.5869                 0.5049                 0.3655
 Alpha2 Fr= 1--      0.0012                 0.0068                 0.0231
 Beta2  Fr= 1--      0.0162                 0.0624                 0.1102
 AlphaG Fr= 1--      0.0037                -0.0007                 0.0352
 Gamma2 Fr= 1--      0.3819                 0.0267                 0.4870
 Delta2 Fr= 1--     -0.0447                 0.1386                -0.0089
 Raman1 Fr= 1--       0.662                  2.968                  7.236
 ROA1   Fr= 1--      35.229                  7.003                 46.464
 CID1   Fr= 1--      53.218                  2.360                  6.421
 Raman2 Fr= 1--       0.194                  0.749                  1.322
 ROA2   Fr= 1--       9.523                 -0.467                 11.758
 CID2   Fr= 1--      49.025                 -0.623                  8.893
 Raman3 Fr= 1--       0.388                  1.499                  2.644
 ROA3   Fr= 1--      35.229                  7.003                 46.464
 CID3   Fr= 1--      90.681                  4.673                 17.570
 RC180  Fr= 1--       0.174                  0.010                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.00   0.05    -0.06   0.03  -0.08     0.04  -0.01   0.01
     2   6    -0.02  -0.01   0.01     0.04  -0.00  -0.06     0.00  -0.01  -0.00
     3   6    -0.01   0.02   0.00     0.03   0.01  -0.05     0.00   0.03  -0.01
     4   6    -0.02   0.04  -0.03     0.02  -0.02  -0.01    -0.04   0.07  -0.07
     5   6    -0.00  -0.01  -0.02    -0.02   0.01   0.04    -0.04  -0.02  -0.03
     6   6     0.00  -0.00  -0.01    -0.04   0.01   0.04    -0.04  -0.00  -0.01
     7   8    -0.01   0.00   0.00    -0.02   0.00   0.01    -0.07  -0.00   0.02
     8   6    -0.06   0.00  -0.04     0.14  -0.06   0.08     0.03   0.01   0.01
     9   6    -0.02  -0.02   0.03     0.08  -0.01  -0.06     0.04  -0.04   0.02
    10   6     0.03  -0.01   0.01    -0.03   0.03   0.04     0.06  -0.00   0.03
    11   6     0.03  -0.01  -0.01    -0.12  -0.01   0.03    -0.02  -0.02   0.00
    12   1    -0.02  -0.04   0.08     0.08  -0.02  -0.20     0.05  -0.08   0.01
    13   1    -0.06  -0.03   0.01     0.21  -0.03   0.00     0.06  -0.04   0.02
    14   1     0.00   0.02   0.00     0.03   0.07  -0.07     0.04   0.05  -0.01
    15   1     0.05   0.02  -0.01    -0.08  -0.04   0.16     0.10   0.02   0.05
    16   1     0.06  -0.04   0.02    -0.10   0.18   0.03     0.07  -0.00   0.04
    17   1     0.06   0.44   0.33    -0.16   0.24   0.20     0.06   0.05   0.03
    18   1     0.52  -0.28   0.10     0.22  -0.10  -0.12     0.10  -0.06   0.03
    19   1    -0.27  -0.14  -0.21    -0.33  -0.02  -0.33     0.01  -0.03  -0.01
    20   1    -0.15   0.12  -0.17     0.19  -0.03   0.00     0.23  -0.31   0.39
    21   1    -0.11  -0.18  -0.07     0.01  -0.11   0.24     0.25   0.51  -0.02
    22   1     0.04   0.06   0.06     0.32  -0.07   0.16    -0.34  -0.13  -0.30
    23   1    -0.04   0.10  -0.06     0.06  -0.03  -0.00    -0.07   0.17  -0.12
    24   1     0.01  -0.06   0.01    -0.07   0.02   0.03    -0.03  -0.12   0.02
    25   1     0.03  -0.01  -0.01    -0.15   0.00   0.06    -0.03  -0.02   0.01
    26   1     0.05  -0.01  -0.02    -0.15   0.00   0.06    -0.01  -0.02  -0.02
    27   1     0.04  -0.01   0.02    -0.13  -0.04  -0.03    -0.02  -0.03   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    279.5889               332.3794               354.3342
 Red. masses --      1.9065                 2.3038                 2.2643
 Frc consts  --      0.0878                 0.1500                 0.1675
 IR Inten    --      0.5660                 0.0630                 0.1121
 RamAct Fr= 1--      3.2156                 0.7804                 1.5904
  Dep-P Fr= 1--      0.1973                 0.5203                 0.7200
  Dep-U Fr= 1--      0.3295                 0.6845                 0.8372
 Alpha2 Fr= 1--      0.0440                 0.0035                 0.0008
 Beta2  Fr= 1--      0.1766                 0.0890                 0.2219
 AlphaG Fr= 1--      0.0182                 0.0045                -0.0010
 Gamma2 Fr= 1--      0.4865                -1.0020                -1.1254
 Delta2 Fr= 1--      0.0181                -0.1241                -0.6091
 Raman1 Fr= 1--      12.862                  3.122                  6.362
 ROA1   Fr= 1--      47.280               -100.162               -127.531
 CID1   Fr= 1--       3.676                -32.087                -20.047
 Raman2 Fr= 1--       2.119                  1.068                  2.663
 ROA2   Fr= 1--      11.531                -23.055                -22.137
 CID2   Fr= 1--       5.441                -21.582                 -8.313
 Raman3 Fr= 1--       4.239                  2.137                  5.326
 ROA3   Fr= 1--      47.280               -100.162               -127.531
 CID3   Fr= 1--      11.154                -46.880                -23.944
 RC180  Fr= 1--      -0.341                  0.369                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03    -0.11  -0.06  -0.02     0.11  -0.14  -0.04
     2   6    -0.04  -0.00  -0.03    -0.03   0.01   0.08    -0.03   0.00   0.02
     3   6    -0.02  -0.01  -0.00    -0.05  -0.03   0.11    -0.05   0.01   0.02
     4   6     0.05  -0.03   0.09    -0.05  -0.01   0.09    -0.05   0.16  -0.01
     5   6     0.06   0.03   0.05    -0.01   0.00  -0.01     0.00   0.03   0.02
     6   6     0.08   0.01   0.01    -0.02  -0.02  -0.04     0.01   0.03  -0.03
     7   8     0.12   0.01  -0.04    -0.04  -0.02  -0.01     0.03  -0.02  -0.02
     8   6    -0.05  -0.05  -0.01    -0.00   0.14   0.02    -0.00  -0.08   0.11
     9   6    -0.08   0.01  -0.02     0.14   0.01  -0.07    -0.01   0.05  -0.06
    10   6    -0.10   0.02   0.00     0.03  -0.05  -0.05    -0.11   0.03  -0.01
    11   6     0.05   0.02   0.00     0.10   0.00  -0.04     0.06  -0.01  -0.00
    12   1    -0.08   0.05  -0.03     0.17  -0.11  -0.31    -0.01   0.05  -0.19
    13   1    -0.07  -0.02  -0.01     0.36   0.19  -0.03     0.10   0.09  -0.02
    14   1    -0.09  -0.00  -0.00    -0.08  -0.10   0.14    -0.06  -0.03   0.04
    15   1    -0.16  -0.03   0.03     0.10  -0.01  -0.04    -0.17  -0.04   0.08
    16   1    -0.12   0.08   0.01    -0.07  -0.13  -0.15    -0.19   0.14  -0.03
    17   1    -0.10   0.19   0.15    -0.22  -0.04   0.13     0.21  -0.19  -0.21
    18   1     0.18  -0.12  -0.05     0.04  -0.06  -0.18     0.13  -0.09  -0.14
    19   1    -0.26  -0.07  -0.19    -0.29  -0.15  -0.16     0.15  -0.31   0.12
    20   1     0.04  -0.30   0.33     0.10   0.14  -0.05    -0.03  -0.07   0.10
    21   1     0.13   0.32  -0.07     0.05   0.21  -0.01    -0.12  -0.16   0.24
    22   1    -0.34  -0.20  -0.30    -0.09   0.25   0.08     0.17  -0.15   0.13
    23   1     0.09  -0.10   0.12    -0.10  -0.03   0.09    -0.08   0.38  -0.10
    24   1     0.08   0.11   0.02     0.07   0.03  -0.01     0.09  -0.17   0.10
    25   1     0.05   0.02  -0.01     0.14  -0.01  -0.08     0.06  -0.01   0.03
    26   1     0.03   0.03   0.02     0.15  -0.01  -0.09     0.11  -0.04  -0.07
    27   1     0.05   0.03  -0.01     0.12   0.04   0.07     0.08  -0.02   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.0679               402.3419               446.9861
 Red. masses --      2.2837                 2.5137                 2.3439
 Frc consts  --      0.1853                 0.2397                 0.2759
 IR Inten    --      0.4749                 0.0742                 0.1198
 RamAct Fr= 1--      1.1139                 0.4560                 1.1860
  Dep-P Fr= 1--      0.1797                 0.5294                 0.5615
  Dep-U Fr= 1--      0.3047                 0.6923                 0.7192
 Alpha2 Fr= 1--      0.0160                 0.0019                 0.0042
 Beta2  Fr= 1--      0.0566                 0.0526                 0.1422
 AlphaG Fr= 1--     -0.0048                -0.0120                -0.0248
 Gamma2 Fr= 1--     -0.3179                 0.6683                 0.5317
 Delta2 Fr= 1--      0.0901                 0.1471                 0.5731
 Raman1 Fr= 1--       4.455                  1.824                  4.744
 ROA1   Fr= 1--     -27.640                 68.860                 69.379
 CID1   Fr= 1--      -6.204                 37.750                 14.624
 Raman2 Fr= 1--       0.679                  0.631                  1.706
 ROA2   Fr= 1--      -8.351                 14.861                  8.175
 CID2   Fr= 1--     -12.303                 23.535                  4.792
 Raman3 Fr= 1--       1.358                  1.263                  3.412
 ROA3   Fr= 1--     -27.640                 68.860                 69.379
 CID3   Fr= 1--     -20.360                 54.526                 20.335
 RC180  Fr= 1--      -0.391                  0.385                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04  -0.11     0.03   0.09   0.00    -0.04   0.06  -0.05
     2   6     0.04   0.09   0.02    -0.03  -0.04  -0.13     0.17   0.00   0.02
     3   6     0.02   0.08   0.04    -0.10   0.08   0.01     0.04  -0.10   0.09
     4   6    -0.00  -0.10   0.06    -0.06   0.04   0.15    -0.01   0.07   0.04
     5   6    -0.01  -0.03  -0.01    -0.02   0.02   0.07    -0.01   0.04   0.02
     6   6    -0.04  -0.06  -0.01    -0.05  -0.05  -0.03    -0.06   0.07  -0.06
     7   8    -0.09   0.01   0.02    -0.05  -0.02  -0.05    -0.06  -0.05   0.01
     8   6    -0.06  -0.11   0.05     0.12  -0.04   0.01     0.07  -0.08  -0.10
     9   6     0.02   0.11   0.04    -0.05  -0.10  -0.02    -0.01   0.07   0.06
    10   6     0.09   0.08  -0.03     0.02   0.00   0.01    -0.05  -0.05   0.02
    11   6     0.01   0.01  -0.03     0.11   0.01  -0.05     0.03  -0.02  -0.02
    12   1     0.01   0.14   0.16    -0.06  -0.10   0.11    -0.05   0.29   0.19
    13   1    -0.10   0.11  -0.01    -0.15  -0.22  -0.04    -0.16  -0.05   0.02
    14   1     0.01   0.10   0.04    -0.25   0.18  -0.01     0.02  -0.14   0.11
    15   1     0.20   0.20  -0.18     0.16   0.11  -0.02    -0.11  -0.06  -0.06
    16   1     0.16  -0.14  -0.06     0.07  -0.13   0.00    -0.04  -0.07   0.02
    17   1     0.03  -0.05  -0.10     0.09   0.17  -0.04    -0.23  -0.06   0.15
    18   1     0.18  -0.01  -0.29    -0.07   0.03   0.21    -0.08   0.14  -0.14
    19   1    -0.07  -0.23  -0.10     0.14   0.24   0.03    -0.13   0.18  -0.22
    20   1    -0.22  -0.15   0.24     0.28  -0.08  -0.05    -0.10  -0.04  -0.03
    21   1    -0.08  -0.15   0.06     0.00   0.01   0.21     0.13  -0.16  -0.24
    22   1     0.00  -0.31  -0.10     0.27  -0.04   0.08     0.01  -0.12  -0.18
    23   1    -0.01  -0.32   0.15    -0.04  -0.03   0.18    -0.07   0.35  -0.09
    24   1    -0.02   0.17  -0.10     0.10   0.11   0.04     0.10  -0.20   0.13
    25   1     0.06  -0.00  -0.12     0.22  -0.02  -0.16     0.03  -0.03   0.08
    26   1    -0.01   0.04  -0.00     0.19   0.01  -0.11     0.13  -0.11  -0.17
    27   1     0.01   0.07  -0.01     0.15   0.12   0.13     0.06  -0.07   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    539.0465               559.2387               589.2759
 Red. masses --      2.8331                 3.8330                 2.6934
 Frc consts  --      0.4850                 0.7063                 0.5511
 IR Inten    --      8.7695                 7.8933                 2.1714
 RamAct Fr= 1--      2.9202                 0.6593                 1.9195
  Dep-P Fr= 1--      0.1216                 0.6593                 0.1341
  Dep-U Fr= 1--      0.2169                 0.7947                 0.2364
 Alpha2 Fr= 1--      0.0485                 0.0011                 0.0309
 Beta2  Fr= 1--      0.1056                 0.0873                 0.0756
 AlphaG Fr= 1--     -0.0136                -0.0056                -0.1289
 Gamma2 Fr= 1--      0.1280                -0.2842                -0.2181
 Delta2 Fr= 1--     -0.0601                 0.0265                 0.0270
 Raman1 Fr= 1--      11.681                  2.637                  7.678
 ROA1   Fr= 1--      10.367                -26.438                -20.076
 CID1   Fr= 1--       0.888                -10.025                 -2.615
 Raman2 Fr= 1--       1.267                  1.048                  0.908
 ROA2   Fr= 1--       3.554                 -7.033                 -5.452
 CID2   Fr= 1--       2.806                 -6.711                 -6.007
 Raman3 Fr= 1--       2.533                  2.096                  1.815
 ROA3   Fr= 1--      10.367                -26.438                -20.076
 CID3   Fr= 1--       4.092                -12.614                -11.060
 RC180  Fr= 1--      -0.566                  0.589                 -0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.04   0.08  -0.08     0.02   0.04  -0.04
     2   6    -0.01  -0.01  -0.04     0.02   0.06  -0.02    -0.08   0.04  -0.04
     3   6    -0.08   0.03   0.12    -0.11  -0.01   0.08     0.03  -0.02  -0.06
     4   6    -0.07   0.00   0.06    -0.17  -0.10  -0.08     0.08  -0.11   0.05
     5   6     0.09  -0.06  -0.15    -0.14  -0.08  -0.08     0.04  -0.06   0.07
     6   6     0.17   0.06  -0.06    -0.00   0.12   0.05    -0.06   0.24  -0.12
     7   8     0.01   0.07   0.18     0.21  -0.04  -0.12    -0.03  -0.08   0.05
     8   6     0.04  -0.02  -0.01     0.01  -0.01   0.01    -0.08   0.05   0.06
     9   6    -0.01  -0.02  -0.02     0.04   0.00   0.04     0.00  -0.04   0.01
    10   6    -0.02  -0.01  -0.00     0.03  -0.06   0.04     0.04   0.01   0.01
    11   6    -0.05  -0.04  -0.07     0.02   0.08   0.17    -0.01   0.01  -0.04
    12   1    -0.02   0.01   0.02     0.04   0.02   0.03     0.02  -0.15  -0.04
    13   1    -0.06  -0.06  -0.03     0.04  -0.05   0.05     0.06  -0.02   0.03
    14   1    -0.17   0.06   0.11    -0.04   0.04   0.06     0.02   0.00  -0.06
    15   1     0.10   0.09  -0.07     0.21   0.13  -0.12     0.02  -0.00   0.02
    16   1    -0.04  -0.20  -0.07     0.07  -0.35  -0.02     0.06   0.04   0.04
    17   1    -0.00   0.03  -0.01     0.02   0.05  -0.07     0.12   0.12  -0.14
    18   1    -0.01   0.01   0.01     0.04   0.10  -0.13     0.06  -0.01   0.00
    19   1     0.01   0.06  -0.04     0.02   0.07  -0.09     0.06  -0.03   0.04
    20   1     0.10  -0.05  -0.02    -0.02  -0.03   0.07    -0.05   0.02   0.07
    21   1    -0.01   0.01   0.08    -0.05  -0.02   0.09    -0.12   0.07   0.13
    22   1     0.10  -0.04   0.01     0.09  -0.09  -0.02    -0.03   0.01   0.05
    23   1    -0.31   0.02   0.02    -0.34  -0.04  -0.12     0.15  -0.01   0.02
    24   1     0.19  -0.10  -0.12    -0.33  -0.21  -0.03     0.11  -0.22   0.14
    25   1    -0.29   0.01   0.19     0.00   0.08   0.30    -0.08  -0.00   0.44
    26   1    -0.25  -0.06   0.07     0.08  -0.02   0.05     0.17  -0.33  -0.42
    27   1    -0.12  -0.29  -0.49     0.04   0.02   0.26     0.05  -0.26   0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.2279               730.0886               803.3491
 Red. masses --      3.1721                 1.4722                 3.3678
 Frc consts  --      0.7423                 0.4624                 1.2806
 IR Inten    --      3.0810                 6.1136                 2.7011
 RamAct Fr= 1--      7.3474                 5.1224                13.5745
  Dep-P Fr= 1--      0.0561                 0.1221                 0.7209
  Dep-U Fr= 1--      0.1062                 0.2176                 0.8378
 Alpha2 Fr= 1--      0.1430                 0.0849                 0.0068
 Beta2  Fr= 1--      0.1301                 0.1858                 1.8955
 AlphaG Fr= 1--      0.2213                 0.1910                 0.0634
 Gamma2 Fr= 1--     -0.3889                 1.2555                 2.7633
 Delta2 Fr= 1--     -0.1656                 0.3699                -1.4996
 Raman1 Fr= 1--      29.390                 20.489                 54.298
 ROA1   Fr= 1--     -42.639                132.364                217.290
 CID1   Fr= 1--      -1.451                  6.460                  4.002
 Raman2 Fr= 1--       1.561                  2.229                 22.746
 ROA2   Fr= 1--      -8.009                 27.172                 78.316
 CID2   Fr= 1--      -5.131                 12.189                  3.443
 Raman3 Fr= 1--       3.122                  4.458                 45.493
 ROA3   Fr= 1--     -42.639                132.364                217.290
 CID3   Fr= 1--     -13.658                 29.689                  4.776
 RC180  Fr= 1--      -0.788                 -0.565                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.17   0.17     0.02   0.04  -0.04    -0.02   0.00  -0.03
     2   6     0.03  -0.10   0.03     0.01   0.01   0.01    -0.07  -0.02  -0.05
     3   6     0.01   0.14   0.03     0.04  -0.05   0.07     0.09  -0.01   0.10
     4   6    -0.02  -0.06   0.00    -0.02  -0.01   0.01     0.09   0.01   0.04
     5   6    -0.02  -0.07  -0.01    -0.00   0.01  -0.03     0.18   0.00  -0.16
     6   6    -0.03   0.10  -0.03    -0.00  -0.01   0.00    -0.05  -0.06  -0.09
     7   8     0.03  -0.04  -0.02    -0.00  -0.00  -0.01    -0.10  -0.05  -0.07
     8   6     0.10  -0.06  -0.08    -0.04   0.03   0.04    -0.01  -0.01  -0.01
     9   6    -0.03   0.06  -0.10     0.01  -0.08  -0.08    -0.04   0.00   0.01
    10   6     0.03   0.19  -0.06     0.06   0.05  -0.05    -0.04   0.03  -0.01
    11   6    -0.00   0.04   0.04    -0.00   0.01   0.03    -0.04   0.09   0.26
    12   1    -0.05   0.11   0.13     0.00  -0.14   0.42    -0.03  -0.02  -0.19
    13   1    -0.22   0.08  -0.18    -0.41  -0.06  -0.26     0.14  -0.04   0.09
    14   1     0.01   0.21   0.01     0.04  -0.18   0.12     0.04  -0.02   0.11
    15   1     0.10   0.20   0.06    -0.04  -0.16   0.39    -0.06   0.08  -0.22
    16   1    -0.05   0.19  -0.12    -0.23   0.41  -0.15     0.07  -0.14   0.02
    17   1    -0.14  -0.20   0.24    -0.01  -0.00  -0.02     0.09   0.13  -0.09
    18   1    -0.11  -0.17   0.20     0.02   0.07  -0.10    -0.01  -0.09   0.13
    19   1    -0.09  -0.10   0.11    -0.00   0.04  -0.06     0.06   0.03   0.03
    20   1     0.18  -0.04  -0.18    -0.04   0.02   0.05     0.10  -0.04  -0.05
    21   1     0.18  -0.03  -0.17    -0.05   0.04   0.06    -0.06   0.06   0.09
    22   1    -0.00   0.07  -0.02    -0.03   0.03   0.05     0.03   0.01   0.02
    23   1    -0.10  -0.14   0.03    -0.10   0.03  -0.01    -0.08   0.11  -0.03
    24   1    -0.07  -0.06  -0.02     0.01  -0.04  -0.01     0.44  -0.09  -0.11
    25   1    -0.03   0.03   0.26     0.00   0.01  -0.01    -0.05   0.10   0.20
    26   1     0.07  -0.12  -0.13    -0.01   0.04   0.06    -0.07   0.14   0.32
    27   1     0.02  -0.08   0.13    -0.01   0.03   0.02    -0.04   0.16   0.30
                     22                     23                     24
                      A                      A                      A
 Frequencies --    843.1803               869.8129               893.1449
 Red. masses --      2.3417                 2.0686                 1.8118
 Frc consts  --      0.9809                 0.9221                 0.8515
 IR Inten    --      2.4536                 0.1970                 0.1808
 RamAct Fr= 1--     11.1688                 8.2524                 5.9933
  Dep-P Fr= 1--      0.3569                 0.6079                 0.1045
  Dep-U Fr= 1--      0.5261                 0.7562                 0.1892
 Alpha2 Fr= 1--      0.0959                 0.0216                 0.1038
 Beta2  Fr= 1--      0.9793                 1.0400                 0.1890
 AlphaG Fr= 1--      0.7691                 0.0826                -0.1155
 Gamma2 Fr= 1--      4.4590                 0.4550                -2.1005
 Delta2 Fr= 1--      0.3828                -0.4126                -1.0519
 Raman1 Fr= 1--      44.675                 33.010                 23.973
 ROA1   Fr= 1--     440.312                 30.473               -235.306
 CID1   Fr= 1--       9.856                  0.923                 -9.815
 Raman2 Fr= 1--      11.752                 12.481                  2.268
 ROA2   Fr= 1--     103.954                 14.220                -41.997
 CID2   Fr= 1--       8.846                  1.139                -18.520
 Raman3 Fr= 1--      23.504                 24.961                  4.535
 ROA3   Fr= 1--     440.312                 30.473               -235.306
 CID3   Fr= 1--      18.734                  1.221                -51.883
 RC180  Fr= 1--       0.052                  0.512                 -0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.02    -0.05  -0.02  -0.01     0.02   0.02   0.01
     2   6    -0.11  -0.01  -0.08    -0.10   0.02  -0.05     0.02   0.05   0.06
     3   6     0.08  -0.10   0.11    -0.02  -0.05  -0.04    -0.03  -0.07  -0.07
     4   6     0.01  -0.11   0.00    -0.06   0.05   0.03    -0.07  -0.00   0.07
     5   6    -0.08   0.11  -0.00     0.00  -0.06   0.00    -0.02  -0.00  -0.02
     6   6     0.00   0.00   0.06     0.01  -0.00  -0.02     0.02  -0.01  -0.02
     7   8     0.03   0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     8   6    -0.00  -0.02  -0.05     0.04  -0.04  -0.08     0.08  -0.01  -0.01
     9   6    -0.01   0.05   0.02     0.09   0.14   0.13    -0.09  -0.07   0.04
    10   6     0.03   0.14   0.01     0.07  -0.07  -0.03     0.06   0.12  -0.05
    11   6     0.01  -0.07  -0.07     0.01   0.03   0.02     0.02   0.01   0.03
    12   1     0.01  -0.03  -0.07     0.10   0.05   0.21    -0.03  -0.38  -0.29
    13   1     0.09   0.04   0.07    -0.02   0.35   0.04     0.29   0.05   0.17
    14   1     0.13  -0.18   0.13    -0.11  -0.18   0.00    -0.15  -0.31   0.00
    15   1     0.03   0.18  -0.13    -0.20  -0.32   0.20    -0.07   0.03  -0.03
    16   1     0.11  -0.00   0.01    -0.07   0.35   0.00     0.28   0.32   0.18
    17   1     0.12   0.18  -0.13     0.13   0.20  -0.14    -0.04  -0.08   0.03
    18   1    -0.02  -0.16   0.21    -0.01  -0.17   0.21     0.02   0.09  -0.12
    19   1     0.06   0.00   0.08     0.06  -0.04   0.13    -0.03  -0.04  -0.00
    20   1     0.18  -0.09  -0.09     0.15  -0.10  -0.06    -0.19   0.07   0.07
    21   1    -0.08   0.09   0.13    -0.04   0.02   0.08     0.13  -0.18  -0.20
    22   1     0.09  -0.02  -0.00     0.16  -0.09  -0.08     0.00  -0.09  -0.13
    23   1    -0.07   0.32  -0.18    -0.05  -0.17   0.12    -0.10   0.03   0.05
    24   1    -0.13  -0.42   0.22     0.02   0.18  -0.10     0.07  -0.04  -0.00
    25   1     0.07  -0.07  -0.31    -0.05   0.03   0.13    -0.06   0.03   0.06
    26   1     0.02   0.07   0.02    -0.02  -0.03  -0.00    -0.06   0.03   0.10
    27   1    -0.00   0.07  -0.08     0.00  -0.05  -0.03    -0.00  -0.03  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    905.8905               946.6624               956.6373
 Red. masses --      2.0860                 2.2203                 1.5327
 Frc consts  --      1.0086                 1.1723                 0.8264
 IR Inten    --      6.0651                 1.6034                 0.4220
 RamAct Fr= 1--     21.5335                11.9882                 3.7864
  Dep-P Fr= 1--      0.2526                 0.7464                 0.5068
  Dep-U Fr= 1--      0.4033                 0.8548                 0.6727
 Alpha2 Fr= 1--      0.2534                 0.0007                 0.0181
 Beta2  Fr= 1--      1.4474                 1.7079                 0.4245
 AlphaG Fr= 1--     -0.7657                -0.0008                -0.0242
 Gamma2 Fr= 1--     -3.7590                 2.2484                 0.5550
 Delta2 Fr= 1--      0.6083                 1.3006                -0.1532
 Raman1 Fr= 1--      86.134                 47.953                 15.146
 ROA1   Fr= 1--    -341.397                257.470                 48.379
 CID1   Fr= 1--      -3.964                  5.369                  3.194
 Raman2 Fr= 1--      17.368                 20.495                  5.094
 ROA2   Fr= 1--     -95.082                 43.557                 14.546
 CID2   Fr= 1--      -5.474                  2.125                  2.855
 Raman3 Fr= 1--      34.737                 40.990                 10.188
 ROA3   Fr= 1--    -341.397                257.470                 48.379
 CID3   Fr= 1--      -9.828                  6.281                  4.748
 RC180  Fr= 1--      -0.193                  0.710                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.05     0.03  -0.01  -0.02    -0.03   0.11  -0.01
     2   6    -0.04  -0.02   0.02     0.01  -0.07  -0.04    -0.06  -0.00   0.07
     3   6     0.10  -0.01   0.15    -0.01  -0.13  -0.01    -0.01   0.01   0.01
     4   6    -0.00   0.12  -0.09    -0.03   0.05  -0.00     0.01  -0.01  -0.01
     5   6     0.01  -0.11   0.06    -0.00  -0.04   0.02     0.01   0.01  -0.00
     6   6    -0.02   0.01   0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     7   8     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.01  -0.03  -0.02    -0.07   0.00   0.03     0.06  -0.10  -0.01
     9   6    -0.05  -0.06   0.02    -0.08   0.10  -0.13    -0.05   0.02  -0.05
    10   6    -0.05   0.07  -0.05     0.12   0.02   0.14     0.02  -0.04   0.05
    11   6    -0.02   0.01  -0.06     0.02   0.02   0.01    -0.00  -0.00   0.00
    12   1    -0.02  -0.19  -0.14    -0.14   0.45  -0.27    -0.05   0.00  -0.05
    13   1     0.13  -0.08   0.10    -0.02  -0.02  -0.08    -0.05   0.15  -0.08
    14   1     0.20  -0.19   0.20    -0.03  -0.21   0.02     0.05   0.06  -0.00
    15   1    -0.13   0.06  -0.23     0.22   0.07   0.18     0.12  -0.01   0.14
    16   1     0.02  -0.04  -0.04     0.34   0.07   0.32    -0.03  -0.05   0.01
    17   1     0.04   0.08  -0.07    -0.07  -0.04   0.10     0.18   0.09  -0.33
    18   1     0.02   0.02  -0.01    -0.06   0.01   0.02     0.23   0.12  -0.28
    19   1     0.03   0.05  -0.03     0.02   0.15  -0.15    -0.07  -0.36   0.25
    20   1     0.10  -0.04  -0.07     0.10  -0.02  -0.06     0.19  -0.00  -0.27
    21   1     0.01   0.03   0.01    -0.09   0.11   0.11     0.26  -0.01  -0.27
    22   1     0.01   0.03   0.03    -0.08   0.11   0.13    -0.23   0.21   0.15
    23   1    -0.01  -0.32   0.10     0.01  -0.07   0.06     0.03  -0.01  -0.00
    24   1    -0.24   0.51  -0.22    -0.00   0.21  -0.09     0.03  -0.07   0.03
    25   1     0.05  -0.02   0.07    -0.05   0.03   0.10     0.01  -0.01  -0.02
    26   1     0.09  -0.13  -0.25    -0.03  -0.02   0.01     0.01   0.01   0.00
    27   1     0.02  -0.05   0.10     0.01  -0.05  -0.06    -0.00   0.01   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    975.8792               986.2528              1015.0798
 Red. masses --      1.8440                 1.6079                 1.5076
 Frc consts  --      1.0347                 0.9215                 0.9152
 IR Inten    --      6.2109                 7.4693                15.8205
 RamAct Fr= 1--      7.9955                24.7880                23.3407
  Dep-P Fr= 1--      0.4931                 0.1448                 0.3640
  Dep-U Fr= 1--      0.6605                 0.2530                 0.5337
 Alpha2 Fr= 1--      0.0408                 0.3883                 0.1957
 Beta2  Fr= 1--      0.8802                 1.0452                 2.0763
 AlphaG Fr= 1--      0.0352                 0.0170                -0.1017
 Gamma2 Fr= 1--     -3.4608                 1.6049                -1.7490
 Delta2 Fr= 1--     -3.7707                 0.6005                -0.6784
 Raman1 Fr= 1--      31.982                 99.152                 93.363
 ROA1   Fr= 1--    -452.895                173.290               -189.616
 CID1   Fr= 1--     -14.161                  1.748                 -2.031
 Raman2 Fr= 1--      10.562                 12.542                 24.915
 ROA2   Fr= 1--     -52.893                 33.715                -36.550
 CID2   Fr= 1--      -5.008                  2.688                 -1.467
 Raman3 Fr= 1--      21.124                 25.084                 49.831
 ROA3   Fr= 1--    -452.895                173.290               -189.616
 CID3   Fr= 1--     -21.440                  6.908                 -3.805
 RC180  Fr= 1--       0.321                 -0.494                  0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.11    -0.00  -0.03  -0.04     0.03   0.01   0.04
     2   6    -0.04   0.14  -0.01    -0.02   0.01   0.02     0.01  -0.00  -0.01
     3   6    -0.06  -0.08   0.02     0.02   0.05   0.06    -0.03   0.01  -0.04
     4   6     0.05   0.02  -0.05     0.02  -0.01  -0.01    -0.01   0.00   0.03
     5   6     0.03  -0.01   0.02     0.03   0.00  -0.03     0.07  -0.01  -0.08
     6   6     0.00  -0.01  -0.01    -0.02   0.01   0.03    -0.01   0.02   0.04
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.02     0.04   0.03   0.04
     8   6     0.04   0.04  -0.11     0.06   0.05  -0.01    -0.04  -0.02  -0.01
     9   6    -0.00  -0.03  -0.06    -0.12   0.01  -0.05     0.02   0.01   0.03
    10   6    -0.00   0.01   0.07     0.05  -0.10   0.03     0.02   0.00  -0.02
    11   6    -0.01   0.01   0.01    -0.05  -0.02  -0.02    -0.12  -0.03  -0.02
    12   1    -0.00  -0.06   0.07    -0.09  -0.17  -0.25     0.00   0.11  -0.00
    13   1    -0.09  -0.11  -0.08     0.03   0.44  -0.09     0.04  -0.13   0.07
    14   1     0.06  -0.18   0.05     0.03   0.16   0.03    -0.19  -0.08  -0.00
    15   1     0.21   0.14   0.11     0.11  -0.14   0.27    -0.13  -0.09  -0.06
    16   1    -0.05  -0.19  -0.02    -0.06   0.02  -0.01     0.14   0.16   0.12
    17   1    -0.06  -0.19   0.03     0.01   0.11   0.02    -0.08  -0.16   0.08
    18   1     0.08   0.11  -0.21    -0.08  -0.10   0.18     0.03   0.13  -0.17
    19   1    -0.16  -0.31   0.17     0.09   0.17  -0.07    -0.08  -0.06  -0.03
    20   1     0.03  -0.10   0.12    -0.28   0.07   0.22     0.17  -0.07  -0.11
    21   1    -0.20   0.02   0.24     0.01  -0.18  -0.07    -0.06   0.11   0.10
    22   1     0.41  -0.28  -0.24     0.12  -0.21  -0.22     0.00   0.07   0.09
    23   1     0.18  -0.01  -0.03    -0.07  -0.03  -0.01    -0.12  -0.10   0.06
    24   1     0.04   0.11  -0.03    -0.02  -0.08   0.00     0.09  -0.15  -0.02
    25   1     0.01  -0.00   0.02     0.12  -0.06  -0.14     0.24  -0.12  -0.25
    26   1     0.01  -0.01  -0.02     0.11  -0.01  -0.14     0.22  -0.02  -0.29
    27   1    -0.00   0.01   0.05    -0.01   0.10   0.22    -0.02   0.21   0.49
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1023.2936              1036.8441              1048.1019
 Red. masses --      1.1644                 1.6630                 1.6073
 Frc consts  --      0.7184                 1.0533                 1.0403
 IR Inten    --     29.7306                 3.2904                 6.8977
 RamAct Fr= 1--      1.2850                 5.9275                36.7060
  Dep-P Fr= 1--      0.6081                 0.4528                 0.2062
  Dep-U Fr= 1--      0.7563                 0.6234                 0.3419
 Alpha2 Fr= 1--      0.0034                 0.0359                 0.4904
 Beta2  Fr= 1--      0.1620                 0.6158                 2.0915
 AlphaG Fr= 1--     -0.1910                 0.2986                -0.0893
 Gamma2 Fr= 1--      0.0232                 3.3218                -2.6100
 Delta2 Fr= 1--     -0.0864                 0.3510                 2.5549
 Raman1 Fr= 1--       5.140                 23.710                146.824
 ROA1   Fr= 1--      -0.535                330.123               -168.802
 CID1   Fr= 1--      -0.104                 13.923                 -1.150
 Raman2 Fr= 1--       1.944                  7.390                 25.098
 ROA2   Fr= 1--       1.249                 76.914                -83.080
 CID2   Fr= 1--       0.642                 10.408                 -3.310
 Raman3 Fr= 1--       3.887                 14.780                 50.195
 ROA3   Fr= 1--      -0.535                330.123               -168.802
 CID3   Fr= 1--      -0.138                 22.335                 -3.363
 RC180  Fr= 1--       0.513                  0.247                 -0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00     0.06   0.03   0.04     0.09   0.01  -0.05
     2   6     0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.04  -0.05   0.06
     3   6    -0.03  -0.00  -0.02     0.07   0.11   0.03    -0.12  -0.03  -0.01
     4   6     0.01  -0.07   0.03     0.00  -0.06   0.03     0.06  -0.01  -0.05
     5   6     0.03  -0.05   0.01    -0.04  -0.00   0.02     0.03   0.01   0.02
     6   6    -0.01   0.03  -0.01    -0.01   0.03  -0.01     0.00   0.01  -0.02
     7   8     0.01  -0.00   0.01    -0.01  -0.01  -0.01    -0.01  -0.01   0.00
     8   6     0.01  -0.00   0.02    -0.05  -0.02  -0.07    -0.02  -0.05  -0.03
     9   6     0.02   0.00   0.00    -0.07  -0.00   0.01    -0.01   0.03   0.07
    10   6    -0.00   0.01   0.01     0.03  -0.09  -0.04    -0.01   0.06   0.01
    11   6    -0.02  -0.02   0.01     0.05  -0.01   0.01    -0.01  -0.01   0.01
    12   1     0.02   0.01   0.04    -0.06  -0.04  -0.18     0.05  -0.32   0.07
    13   1    -0.02  -0.01  -0.01     0.07   0.12   0.03     0.05   0.43   0.01
    14   1    -0.06  -0.07  -0.00     0.11   0.11   0.03    -0.03  -0.04  -0.01
    15   1     0.06   0.05   0.03    -0.21  -0.27  -0.02     0.22   0.18   0.14
    16   1    -0.01  -0.01  -0.01     0.10   0.17   0.10    -0.24  -0.10  -0.21
    17   1     0.05   0.05  -0.05    -0.13  -0.23   0.15    -0.14  -0.11   0.21
    18   1     0.01  -0.04   0.05     0.02   0.21  -0.25    -0.11   0.11  -0.04
    19   1     0.02  -0.01   0.03    -0.10  -0.02  -0.10     0.03   0.29  -0.29
    20   1    -0.05   0.04   0.01     0.27  -0.16  -0.09     0.21  -0.09  -0.14
    21   1     0.06  -0.04  -0.07    -0.19   0.18   0.26    -0.01   0.08   0.05
    22   1    -0.06   0.02   0.00     0.18  -0.02   0.04    -0.02   0.08   0.10
    23   1    -0.11   0.62  -0.27    -0.13   0.23  -0.10     0.22  -0.01  -0.04
    24   1    -0.08   0.58  -0.27    -0.12   0.11  -0.03     0.07   0.01   0.02
    25   1     0.05  -0.04  -0.13    -0.08   0.03  -0.01     0.01  -0.01  -0.05
    26   1     0.04   0.04   0.00    -0.09   0.05   0.16    -0.00   0.04   0.05
    27   1    -0.01   0.09   0.09     0.00  -0.04  -0.21    -0.01   0.04   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1051.0773              1155.3002              1195.1245
 Red. masses --      1.8581                 1.6878                 1.9370
 Frc consts  --      1.2095                 1.3273                 1.6301
 IR Inten    --      0.5821                12.3866                 3.0523
 RamAct Fr= 1--      2.2326                57.8555                12.2960
  Dep-P Fr= 1--      0.5844                 0.3693                 0.4332
  Dep-U Fr= 1--      0.7377                 0.5394                 0.6045
 Alpha2 Fr= 1--      0.0069                 0.4765                 0.0805
 Beta2  Fr= 1--      0.2745                 5.2017                 1.2389
 AlphaG Fr= 1--     -0.0322                 0.0675                -0.1010
 Gamma2 Fr= 1--     -0.5083                -3.0481                 0.7073
 Delta2 Fr= 1--     -0.0848                -0.6930                 1.2722
 Raman1 Fr= 1--       8.930                231.422                 49.184
 ROA1   Fr= 1--     -51.512               -314.796                108.609
 CID1   Fr= 1--      -5.768                 -1.360                  2.208
 Raman2 Fr= 1--       3.294                 62.420                 14.867
 ROA2   Fr= 1--     -11.522                -67.612                  6.798
 CID2   Fr= 1--      -3.498                 -1.083                  0.457
 Raman3 Fr= 1--       6.588                124.840                 29.734
 ROA3   Fr= 1--     -51.512               -314.796                108.609
 CID3   Fr= 1--      -7.819                 -2.522                  3.653
 RC180  Fr= 1--       0.475                  0.079                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.04   0.01   0.06    -0.04  -0.01  -0.04
     2   6     0.01   0.00  -0.01    -0.05  -0.02  -0.11     0.09   0.03   0.10
     3   6     0.01  -0.01   0.00     0.10  -0.12  -0.01     0.09  -0.02  -0.10
     4   6    -0.02   0.05  -0.02    -0.06   0.03   0.04    -0.13   0.01   0.08
     5   6     0.01  -0.07   0.03    -0.01  -0.02  -0.01    -0.05  -0.01  -0.01
     6   6    -0.04   0.19  -0.08     0.00  -0.01   0.00     0.04  -0.01  -0.03
     7   8     0.01  -0.03   0.02     0.01   0.01   0.01     0.03   0.01   0.02
     8   6     0.00   0.01   0.01     0.01   0.01   0.03    -0.05  -0.01  -0.06
     9   6     0.01  -0.00  -0.01     0.00   0.06  -0.01    -0.01  -0.03  -0.02
    10   6    -0.00   0.00   0.00     0.01   0.02   0.06    -0.07   0.00   0.00
    11   6     0.03  -0.14   0.06    -0.01   0.00  -0.00    -0.03  -0.00   0.01
    12   1    -0.00   0.04   0.01     0.07  -0.41   0.13     0.01  -0.13   0.04
    13   1    -0.01  -0.06  -0.00    -0.03   0.15  -0.05    -0.03   0.18  -0.07
    14   1     0.00   0.01  -0.01     0.02   0.60  -0.25     0.59   0.05  -0.14
    15   1    -0.02   0.00  -0.02    -0.13  -0.00  -0.19     0.22   0.18   0.07
    16   1     0.02  -0.01   0.01    -0.12  -0.14  -0.10     0.02  -0.10   0.03
    17   1     0.02   0.03  -0.02    -0.09  -0.22   0.09     0.07   0.16  -0.07
    18   1     0.01  -0.02   0.02     0.01   0.15  -0.18     0.01  -0.12   0.12
    19   1     0.00  -0.02   0.03    -0.12  -0.09  -0.04     0.10   0.05   0.06
    20   1    -0.04   0.02   0.02    -0.11   0.07   0.01     0.19  -0.13  -0.04
    21   1     0.01  -0.02  -0.02     0.05  -0.05  -0.07    -0.13   0.16   0.17
    22   1    -0.01  -0.01  -0.01    -0.10   0.01  -0.02     0.15   0.02   0.07
    23   1     0.04  -0.31   0.14    -0.11   0.03   0.04    -0.00   0.04   0.08
    24   1     0.00  -0.01   0.00     0.04   0.09  -0.05     0.35   0.07  -0.01
    25   1     0.02  -0.09  -0.58     0.01  -0.00  -0.00     0.06  -0.03  -0.02
    26   1    -0.07   0.35   0.47     0.01  -0.01  -0.03     0.05   0.02  -0.04
    27   1    -0.05   0.29  -0.12     0.00   0.00   0.03    -0.01   0.06   0.14
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.7934              1227.6541              1242.1751
 Red. masses --      1.6792                 1.4227                 1.8297
 Frc consts  --      1.4361                 1.2633                 1.6634
 IR Inten    --      5.4146                 2.7977                 5.1363
 RamAct Fr= 1--     17.8738                35.9655                14.0122
  Dep-P Fr= 1--      0.2929                 0.4496                 0.3248
  Dep-U Fr= 1--      0.4531                 0.6203                 0.4904
 Alpha2 Fr= 1--      0.1872                 0.2208                 0.1332
 Beta2  Fr= 1--      1.3498                 3.7182                 1.1452
 AlphaG Fr= 1--      0.2620                 0.0816                 0.0964
 Gamma2 Fr= 1--      3.8668                 1.0410                 1.7715
 Delta2 Fr= 1--     -0.3135                 0.9613                 0.7997
 Raman1 Fr= 1--      71.495                143.862                 56.049
 ROA1   Fr= 1--     361.178                130.700                195.651
 CID1   Fr= 1--       5.052                  0.909                  3.491
 Raman2 Fr= 1--      16.198                 44.618                 13.742
 ROA2   Fr= 1--      95.311                 17.295                 36.117
 CID2   Fr= 1--       5.884                  0.388                  2.628
 Raman3 Fr= 1--      32.396                 89.237                 27.485
 ROA3   Fr= 1--     361.178                130.700                195.651
 CID3   Fr= 1--      11.149                  1.465                  7.119
 RC180  Fr= 1--      -0.094                  0.241                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.01     0.04   0.02   0.04    -0.00  -0.06   0.02
     2   6     0.15  -0.06   0.00    -0.08  -0.03  -0.08     0.05   0.18  -0.08
     3   6    -0.00  -0.08   0.03     0.04   0.01  -0.01     0.04   0.00   0.00
     4   6     0.03   0.02  -0.02    -0.05  -0.00   0.02     0.01   0.02   0.01
     5   6     0.01  -0.01  -0.00    -0.02  -0.00   0.00     0.02  -0.00  -0.01
     6   6    -0.00  -0.00   0.01     0.01  -0.00  -0.01    -0.03   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.01
     8   6    -0.06   0.03  -0.03     0.03   0.02   0.03    -0.03  -0.07   0.03
     9   6    -0.05  -0.02   0.07    -0.01  -0.04   0.09    -0.06   0.08   0.01
    10   6     0.02   0.03  -0.07     0.01  -0.00  -0.06    -0.02  -0.07  -0.04
    11   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.02   0.00  -0.01
    12   1    -0.06   0.10  -0.18    -0.08   0.51  -0.22     0.01  -0.40  -0.05
    13   1     0.15   0.09   0.13     0.10  -0.06   0.14     0.10  -0.39   0.18
    14   1    -0.40   0.46  -0.14     0.33  -0.11   0.02    -0.03  -0.10   0.04
    15   1     0.20   0.07   0.25     0.31   0.09   0.31     0.33   0.04   0.38
    16   1    -0.13   0.09  -0.17    -0.26   0.00  -0.26    -0.09  -0.02  -0.07
    17   1     0.11   0.08  -0.20    -0.05  -0.14   0.05    -0.07  -0.04   0.14
    18   1     0.14  -0.05  -0.04    -0.01   0.12  -0.12    -0.10  -0.09   0.16
    19   1     0.00  -0.16   0.19    -0.10  -0.06  -0.06     0.02   0.01   0.00
    20   1     0.04  -0.07   0.07    -0.12   0.07   0.04     0.11   0.02  -0.21
    21   1    -0.18   0.11   0.21     0.04  -0.08  -0.07     0.13   0.12  -0.09
    22   1     0.10   0.00   0.03    -0.07  -0.03  -0.06    -0.15   0.15   0.17
    23   1    -0.06   0.00  -0.02     0.07   0.01   0.02    -0.13  -0.03   0.02
    24   1    -0.19   0.00  -0.02     0.20   0.04   0.00    -0.14  -0.03  -0.02
    25   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.03   0.01  -0.01
    26   1    -0.01  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.02   0.00
    27   1     0.00  -0.01  -0.02    -0.00   0.01   0.02     0.00  -0.03  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.8670              1271.0663              1280.9407
 Red. masses --      1.5291                 1.6941                 1.8649
 Frc consts  --      1.4119                 1.6126                 1.8028
 IR Inten    --     16.9308                93.1773                38.4718
 RamAct Fr= 1--     18.9701                49.1478                 4.2986
  Dep-P Fr= 1--      0.3956                 0.2640                 0.3710
  Dep-U Fr= 1--      0.5669                 0.4177                 0.5412
 Alpha2 Fr= 1--      0.1428                 0.5599                 0.0352
 Beta2  Fr= 1--      1.7923                 3.4214                 0.3877
 AlphaG Fr= 1--     -0.0189                -0.0136                -0.0461
 Gamma2 Fr= 1--      1.1041                 0.7351                -0.4073
 Delta2 Fr= 1--     -0.3559                 0.2453                 0.0648
 Raman1 Fr= 1--      75.880                196.591                 17.195
 ROA1   Fr= 1--      94.603                 78.417                -37.027
 CID1   Fr= 1--       1.247                  0.399                 -2.153
 Raman2 Fr= 1--      21.508                 41.057                  4.653
 ROA2   Fr= 1--      29.345                 15.680                -10.294
 CID2   Fr= 1--       1.364                  0.382                 -2.212
 Raman3 Fr= 1--      43.016                 82.115                  9.306
 ROA3   Fr= 1--      94.603                 78.417                -37.027
 CID3   Fr= 1--       2.199                  0.955                 -3.979
 RC180  Fr= 1--       0.134                 -0.165                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02     0.01  -0.00  -0.01    -0.03   0.01   0.01
     2   6    -0.02  -0.03  -0.03    -0.04   0.01   0.03     0.08  -0.02  -0.03
     3   6     0.09   0.01  -0.06    -0.04  -0.04   0.05     0.00   0.04  -0.07
     4   6     0.02   0.03   0.05    -0.01  -0.02  -0.04    -0.01   0.01   0.02
     5   6     0.05  -0.00  -0.03     0.03  -0.01  -0.04     0.04  -0.02  -0.06
     6   6    -0.04   0.01   0.05    -0.13   0.04   0.14    -0.12   0.04   0.14
     7   8    -0.01  -0.01  -0.02     0.03  -0.00  -0.02     0.02  -0.01  -0.02
     8   6    -0.00   0.01   0.00     0.01   0.00  -0.01    -0.03   0.00   0.00
     9   6     0.05  -0.04   0.02     0.03   0.01  -0.00    -0.04  -0.02   0.00
    10   6    -0.12  -0.01   0.00    -0.05  -0.01  -0.07     0.08   0.03   0.10
    11   6     0.03   0.00  -0.01     0.04   0.00  -0.01     0.05   0.00  -0.02
    12   1     0.04   0.04   0.09     0.03   0.03   0.06    -0.03  -0.04  -0.08
    13   1    -0.12   0.47  -0.17    -0.02  -0.07  -0.01     0.03   0.14  -0.00
    14   1    -0.22  -0.27   0.04     0.02   0.35  -0.08     0.01  -0.39   0.07
    15   1     0.31   0.25   0.14     0.12   0.05   0.13    -0.23  -0.08  -0.23
    16   1     0.21  -0.07   0.23     0.34   0.19   0.28    -0.43  -0.22  -0.36
    17   1    -0.01  -0.06   0.00    -0.00   0.03   0.02     0.02  -0.01  -0.06
    18   1     0.02   0.06  -0.08    -0.03   0.01  -0.00     0.06  -0.04   0.01
    19   1    -0.04  -0.03  -0.02     0.01   0.04  -0.03     0.00  -0.07   0.08
    20   1    -0.03   0.01   0.02    -0.00   0.00   0.00     0.02  -0.02   0.01
    21   1    -0.02  -0.01   0.01     0.01  -0.03  -0.02    -0.04   0.05   0.05
    22   1    -0.01  -0.01  -0.02     0.01  -0.02  -0.03     0.01   0.03   0.04
    23   1    -0.32  -0.07   0.05     0.15   0.03  -0.05    -0.12  -0.03   0.03
    24   1    -0.34  -0.09  -0.03     0.61   0.11  -0.05     0.30   0.01  -0.05
    25   1    -0.04   0.02  -0.01    -0.05   0.03  -0.11    -0.06   0.03  -0.11
    26   1    -0.04  -0.03   0.01    -0.03  -0.11  -0.05    -0.03  -0.12  -0.05
    27   1     0.01  -0.04  -0.09    -0.01  -0.13  -0.28    -0.00  -0.11  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1289.9519              1303.8882              1337.3784
 Red. masses --      2.0363                 1.9694                 1.3621
 Frc consts  --      1.9964                 1.9727                 1.4354
 IR Inten    --      7.9247                11.5479                 0.5005
 RamAct Fr= 1--      6.1254                 1.3867                31.1367
  Dep-P Fr= 1--      0.5441                 0.4501                 0.2644
  Dep-U Fr= 1--      0.7048                 0.6207                 0.4182
 Alpha2 Fr= 1--      0.0242                 0.0085                 0.3543
 Beta2  Fr= 1--      0.7195                 0.1435                 2.1703
 AlphaG Fr= 1--     -0.0509                -0.0086                 0.0098
 Gamma2 Fr= 1--     -3.6875                -0.1707                 0.6314
 Delta2 Fr= 1--     -4.2508                -0.4305                 0.1503
 Raman1 Fr= 1--      24.502                  5.547                124.547
 ROA1   Fr= 1--    -490.025                -30.160                 65.421
 CID1   Fr= 1--     -20.000                 -5.437                  0.525
 Raman2 Fr= 1--       8.634                  1.722                 26.043
 ROA2   Fr= 1--     -54.494                 -0.652                 13.950
 CID2   Fr= 1--      -6.312                 -0.379                  0.536
 Raman3 Fr= 1--      17.268                  3.443                 52.087
 ROA3   Fr= 1--    -490.025                -30.160                 65.421
 CID3   Fr= 1--     -28.377                 -8.759                  1.256
 RC180  Fr= 1--       0.410                  0.241                 -0.164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.02    -0.03  -0.01   0.04    -0.00   0.01  -0.00
     2   6    -0.06   0.20   0.07     0.11   0.08  -0.18     0.01  -0.00  -0.02
     3   6     0.01  -0.07  -0.01    -0.03   0.02   0.08    -0.03   0.00   0.02
     4   6     0.02   0.02   0.02    -0.02  -0.02  -0.07    -0.01   0.04   0.10
     5   6     0.03  -0.00  -0.01    -0.06   0.00   0.04     0.00  -0.05  -0.12
     6   6    -0.01   0.00   0.02     0.04  -0.01  -0.04    -0.02   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.01
     8   6     0.01  -0.07  -0.01    -0.02  -0.04   0.04    -0.00  -0.00   0.00
     9   6     0.01  -0.16   0.01    -0.01  -0.08   0.04    -0.00  -0.00   0.00
    10   6     0.04   0.04   0.02    -0.02  -0.01  -0.00     0.00  -0.00  -0.01
    11   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.00   0.01   0.01
    12   1    -0.10   0.56  -0.16    -0.01  -0.02  -0.08    -0.00  -0.01   0.02
    13   1    -0.07   0.22  -0.11    -0.09   0.62  -0.17     0.02   0.06  -0.00
    14   1    -0.11   0.36  -0.15    -0.02  -0.11   0.12     0.23   0.04   0.01
    15   1    -0.19  -0.08  -0.12    -0.10  -0.05  -0.06    -0.02  -0.01  -0.04
    16   1    -0.10  -0.08  -0.12     0.21   0.05   0.18     0.04   0.05   0.04
    17   1    -0.04   0.11   0.16    -0.04  -0.11   0.02    -0.03  -0.02   0.02
    18   1    -0.16  -0.02   0.09     0.04  -0.06   0.06    -0.00  -0.01   0.03
    19   1     0.08   0.16  -0.09    -0.04  -0.14   0.11    -0.00  -0.05   0.03
    20   1     0.09  -0.01  -0.16    -0.06   0.08  -0.09    -0.02   0.01   0.01
    21   1     0.10   0.10  -0.06     0.05   0.12   0.02    -0.00   0.01   0.01
    22   1    -0.02   0.06   0.08    -0.17   0.14   0.13    -0.02   0.01   0.01
    23   1    -0.14   0.01   0.01     0.25   0.00  -0.06     0.76   0.19   0.12
    24   1    -0.20  -0.01  -0.03     0.34   0.08   0.04    -0.46  -0.14  -0.12
    25   1    -0.02   0.01  -0.00     0.04  -0.02   0.03     0.01   0.00  -0.07
    26   1    -0.01  -0.02   0.00     0.03   0.04   0.00     0.02  -0.05  -0.04
    27   1     0.00  -0.01  -0.03    -0.01   0.03   0.07    -0.02  -0.05  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.7826              1389.0310              1405.6719
 Red. masses --      1.4893                 1.3438                 1.2754
 Frc consts  --      1.6657                 1.5276                 1.4848
 IR Inten    --     11.2261                36.5652                 8.8928
 RamAct Fr= 1--      1.6105                 0.9624                 0.8856
  Dep-P Fr= 1--      0.4768                 0.6158                 0.4742
  Dep-U Fr= 1--      0.6457                 0.7622                 0.6433
 Alpha2 Fr= 1--      0.0088                 0.0024                 0.0049
 Beta2  Fr= 1--      0.1733                 0.1223                 0.0949
 AlphaG Fr= 1--      0.0109                 0.0004                -0.0081
 Gamma2 Fr= 1--     -0.5045                -0.1418                -0.2821
 Delta2 Fr= 1--      0.1928                 0.1619                -0.0414
 Raman1 Fr= 1--       6.442                  3.850                  3.542
 ROA1   Fr= 1--     -42.266                 -8.433                -28.405
 CID1   Fr= 1--      -6.561                 -2.190                 -8.019
 Raman2 Fr= 1--       2.080                  1.467                  1.139
 ROA2   Fr= 1--     -13.652                 -4.699                 -6.439
 CID2   Fr= 1--      -6.564                 -3.203                 -5.651
 Raman3 Fr= 1--       4.160                  2.934                  2.279
 ROA3   Fr= 1--     -42.266                 -8.433                -28.405
 CID3   Fr= 1--     -10.161                 -2.874                -12.465
 RC180  Fr= 1--       0.291                  0.524                  0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.03  -0.06   0.07
     2   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02   0.01  -0.03
     3   6    -0.14  -0.03   0.00     0.03   0.01  -0.00    -0.02  -0.00   0.01
     4   6     0.03   0.01   0.01    -0.01   0.00   0.01     0.00   0.00   0.00
     5   6     0.10   0.03   0.02    -0.01  -0.02  -0.04     0.00  -0.00  -0.00
     6   6    -0.02   0.01   0.03    -0.04   0.01   0.05     0.00  -0.00  -0.00
     7   8    -0.02  -0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.08   0.04   0.07
     9   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    10   6     0.01   0.00  -0.02    -0.00  -0.00   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04     0.03  -0.06  -0.14     0.00   0.00   0.00
    12   1     0.01  -0.01   0.01    -0.00   0.00   0.00    -0.00  -0.02  -0.02
    13   1     0.02   0.08   0.00    -0.00  -0.01   0.00    -0.00   0.05  -0.01
    14   1     0.75   0.11  -0.06    -0.15  -0.02   0.01     0.07  -0.01   0.01
    15   1    -0.05  -0.03  -0.06     0.01   0.01   0.01    -0.02  -0.02   0.02
    16   1     0.09   0.12   0.07    -0.02  -0.02  -0.02     0.02  -0.01   0.01
    17   1    -0.03  -0.07  -0.02     0.01   0.02   0.00     0.25   0.22  -0.18
    18   1     0.05  -0.05   0.05    -0.02   0.01  -0.01     0.04   0.15  -0.36
    19   1    -0.01  -0.07   0.06    -0.00   0.01  -0.01     0.00   0.31  -0.15
    20   1    -0.04   0.01   0.02     0.01  -0.01  -0.00     0.39  -0.05  -0.18
    21   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.17  -0.13  -0.38
    22   1    -0.02   0.02   0.02     0.01  -0.01  -0.00     0.25  -0.31  -0.13
    23   1    -0.42  -0.07  -0.01     0.19   0.04   0.02     0.02  -0.00   0.01
    24   1    -0.24  -0.03   0.03     0.10   0.00  -0.04    -0.02  -0.01  -0.00
    25   1    -0.08   0.01   0.13    -0.11  -0.04   0.57    -0.00   0.00  -0.01
    26   1    -0.09   0.06   0.11    -0.19   0.39   0.38    -0.00  -0.01  -0.00
    27   1     0.05   0.06   0.11     0.12   0.20   0.41     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.8678              1471.5776              1480.1373
 Red. masses --      1.2269                 1.0569                 1.0473
 Frc consts  --      1.4635                 1.3485                 1.3518
 IR Inten    --      3.3028                 9.8168                 9.7577
 RamAct Fr= 1--      0.7439                 2.9128                 3.8386
  Dep-P Fr= 1--      0.7054                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8272                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1026                 0.4161                 0.5483
 AlphaG Fr= 1--      0.0019                 0.0000                 0.0007
 Gamma2 Fr= 1--     -0.0571                -0.4368                 1.4626
 Delta2 Fr= 1--     -0.0083                -0.2297                 1.1488
 Raman1 Fr= 1--       2.976                 11.651                 15.355
 ROA1   Fr= 1--      -5.744                -49.278                177.174
 CID1   Fr= 1--      -1.930                 -4.229                 11.539
 Raman2 Fr= 1--       1.231                  4.993                  6.580
 ROA2   Fr= 1--      -1.304                 -8.645                 25.913
 CID2   Fr= 1--      -1.059                 -1.731                  3.938
 Raman3 Fr= 1--       2.462                  9.987                 13.160
 ROA3   Fr= 1--      -5.744                -49.278                177.174
 CID3   Fr= 1--      -2.333                 -4.934                 13.463
 RC180  Fr= 1--       0.654                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.07  -0.07     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.01   0.02     0.00  -0.02   0.01
     7   8     0.00   0.00   0.00    -0.02  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.05  -0.01   0.01     0.01  -0.05   0.02
    12   1    -0.00   0.02  -0.06    -0.00   0.00   0.01    -0.00   0.00   0.01
    13   1    -0.06   0.01  -0.03     0.01   0.00   0.00     0.01   0.00   0.00
    14   1    -0.06   0.02  -0.01     0.03   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.01   0.02     0.01   0.01  -0.02    -0.01  -0.01   0.02
    16   1     0.01  -0.03  -0.00    -0.01   0.02  -0.00     0.01  -0.02  -0.00
    17   1    -0.28  -0.29   0.17     0.00   0.01   0.00    -0.03   0.00   0.03
    18   1     0.00  -0.19   0.40    -0.01   0.01  -0.01     0.04  -0.01  -0.03
    19   1    -0.01  -0.34   0.17    -0.00  -0.01   0.00     0.05   0.02   0.04
    20   1     0.36  -0.07  -0.12     0.00  -0.01   0.01     0.01   0.01  -0.03
    21   1     0.12  -0.16  -0.32     0.00  -0.00  -0.00    -0.02  -0.01   0.02
    22   1     0.22  -0.26  -0.12     0.00   0.01   0.01    -0.03  -0.02  -0.03
    23   1    -0.00   0.01  -0.01    -0.05  -0.01   0.00     0.00  -0.00   0.00
    24   1     0.02   0.01  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    25   1     0.01  -0.00   0.00     0.53  -0.17   0.30    -0.42   0.08   0.21
    26   1     0.01   0.01  -0.00     0.41   0.49   0.02     0.40   0.03  -0.26
    27   1    -0.00  -0.00  -0.00    -0.11  -0.18  -0.38    -0.12   0.65  -0.28
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1638              1485.1971              1492.4537
 Red. masses --      1.0673                 1.0452                 1.0649
 Frc consts  --      1.3834                 1.3583                 1.3975
 IR Inten    --      1.3267                 1.5347                 6.0018
 RamAct Fr= 1--      5.4640                 8.1493                 5.5209
  Dep-P Fr= 1--      0.7161                 0.7283                 0.7494
  Dep-U Fr= 1--      0.8345                 0.8428                 0.8568
 Alpha2 Fr= 1--      0.0032                 0.0030                 0.0001
 Beta2  Fr= 1--      0.7600                 1.1447                 0.7884
 AlphaG Fr= 1--     -0.0174                 0.0069                 0.0014
 Gamma2 Fr= 1--     -1.3783                -1.0292                 1.4367
 Delta2 Fr= 1--     -0.6169                -0.2587                 0.6532
 Raman1 Fr= 1--      21.856                 32.597                 22.084
 ROA1   Fr= 1--    -152.056               -107.079                158.827
 CID1   Fr= 1--      -6.957                 -3.285                  7.192
 Raman2 Fr= 1--       9.120                 13.736                  9.460
 ROA2   Fr= 1--     -28.143                -22.630                 29.255
 CID2   Fr= 1--      -3.086                 -1.648                  3.092
 Raman3 Fr= 1--      18.240                 27.472                 18.921
 ROA3   Fr= 1--    -152.056               -107.079                158.827
 CID3   Fr= 1--      -8.337                 -3.898                  8.394
 RC180  Fr= 1--       0.669                  0.686                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.01   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.01   0.03    -0.00  -0.02   0.01
     9   6    -0.02  -0.01  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    12   1    -0.04   0.10   0.36    -0.00   0.00   0.00     0.02  -0.04  -0.22
    13   1     0.35   0.06   0.12     0.00  -0.00   0.01    -0.22  -0.07  -0.07
    14   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.18   0.27    -0.01  -0.01   0.03     0.17   0.20  -0.30
    16   1     0.15  -0.33  -0.01     0.01  -0.03  -0.01    -0.17   0.36   0.01
    17   1    -0.00  -0.26  -0.17    -0.20  -0.06   0.21     0.02  -0.34  -0.25
    18   1     0.21  -0.15   0.09     0.36  -0.10  -0.21     0.29  -0.20   0.10
    19   1    -0.04   0.15  -0.12     0.37   0.22   0.26    -0.05   0.23  -0.17
    20   1    -0.19   0.14  -0.10     0.09   0.16  -0.31    -0.15   0.13  -0.12
    21   1     0.14   0.31  -0.03    -0.17  -0.09   0.23     0.11   0.26  -0.00
    22   1     0.19  -0.09   0.02    -0.33  -0.17  -0.31     0.15  -0.10  -0.01
    23   1    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.02  -0.01   0.00     0.05  -0.01  -0.02    -0.01   0.00   0.01
    26   1     0.00   0.01   0.00    -0.04   0.01   0.03     0.01   0.00  -0.01
    27   1    -0.00  -0.01  -0.01     0.01  -0.07   0.03    -0.00   0.02  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9772              1505.3942              1509.0072
 Red. masses --      1.0905                 1.0666                 1.0665
 Frc consts  --      1.4494                 1.4241                 1.4308
 IR Inten    --      3.7765                 9.3533                 6.0435
 RamAct Fr= 1--      6.4600                 5.3007                 0.4092
  Dep-P Fr= 1--      0.6519                 0.7314                 0.3841
  Dep-U Fr= 1--      0.7893                 0.8449                 0.5550
 Alpha2 Fr= 1--      0.0114                 0.0017                 0.0032
 Beta2  Fr= 1--      0.8498                 0.7464                 0.0378
 AlphaG Fr= 1--     -0.0046                -0.0101                -0.0039
 Gamma2 Fr= 1--     -1.0358                -0.1892                -0.2490
 Delta2 Fr= 1--      0.1911                 0.9341                 0.0477
 Raman1 Fr= 1--      25.840                 21.203                  1.637
 ROA1   Fr= 1--     -93.326                 11.727                -22.380
 CID1   Fr= 1--      -3.612                  0.553                -13.673
 Raman2 Fr= 1--      10.197                  8.957                  0.454
 ROA2   Fr= 1--     -26.388                -12.014                 -6.359
 CID2   Fr= 1--      -2.588                 -1.341                -14.000
 Raman3 Fr= 1--      20.394                 17.914                  0.908
 ROA3   Fr= 1--     -93.326                 11.727                -22.380
 CID3   Fr= 1--      -4.576                  0.655                -24.638
 RC180  Fr= 1--       0.579                  0.690                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.01  -0.02     0.02   0.02   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.02    -0.00   0.02  -0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.05   0.12   0.36    -0.03   0.06   0.24     0.04  -0.06  -0.25
    13   1     0.36   0.09   0.12     0.24   0.06   0.08    -0.25  -0.07  -0.08
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.13  -0.20     0.13   0.14  -0.21    -0.07  -0.08   0.13
    16   1    -0.11   0.25   0.01    -0.12   0.27   0.01     0.07  -0.15  -0.00
    17   1    -0.09  -0.15   0.02    -0.08   0.29   0.28    -0.17   0.03   0.23
    18   1     0.24  -0.11  -0.05    -0.19   0.16  -0.13     0.23  -0.02  -0.22
    19   1     0.14   0.17   0.05     0.13  -0.19   0.23     0.32   0.13   0.25
    20   1     0.16  -0.26   0.31    -0.19   0.19  -0.16    -0.17  -0.11   0.28
    21   1    -0.03  -0.30  -0.16     0.17   0.35  -0.04     0.18   0.14  -0.21
    22   1    -0.01   0.22   0.19     0.24  -0.18  -0.02     0.33   0.15   0.29
    23   1     0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01     0.01  -0.00   0.00
    26   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.01
    27   1     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.3405              1736.6947              3021.4584
 Red. masses --      5.8293                 9.9153                 1.0347
 Frc consts  --      9.8714                17.6198                 5.5652
 IR Inten    --     64.9537               287.7338                25.3744
 RamAct Fr= 1--    504.1363               249.7781                35.3028
  Dep-P Fr= 1--      0.2859                 0.3290                 0.0773
  Dep-U Fr= 1--      0.4446                 0.4951                 0.1436
 Alpha2 Fr= 1--      5.3916                 2.3444                 0.6531
 Beta2  Fr= 1--     37.3594                20.6115                 0.8447
 AlphaG Fr= 1--     -0.2384                 0.0401                 0.0784
 Gamma2 Fr= 1--     -3.2182                 1.5380                -1.9277
 Delta2 Fr= 1--      1.4299                -0.1262                -1.6061
 Raman1 Fr= 1--    2016.545                999.112                141.211
 ROA1   Fr= 1--    -263.191                143.607               -236.454
 CID1   Fr= 1--      -0.131                  0.144                 -1.674
 Raman2 Fr= 1--     448.312                247.338                 10.137
 ROA2   Fr= 1--     -88.676                 37.920                -33.416
 CID2   Fr= 1--      -0.198                  0.153                 -3.296
 Raman3 Fr= 1--     896.625                494.676                 20.274
 ROA3   Fr= 1--    -263.191                143.607               -236.454
 CID3   Fr= 1--      -0.294                  0.290                -11.663
 RC180  Fr= 1--      -0.111                 -0.010                 -0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.14   0.14    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.40  -0.14  -0.14    -0.06  -0.03  -0.03     0.00   0.00   0.00
     6   6    -0.00  -0.01  -0.02     0.54   0.27   0.39     0.00  -0.00  -0.00
     7   8     0.05   0.02   0.02    -0.35  -0.18  -0.25    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.02  -0.03    -0.00   0.00   0.00
    12   1     0.00   0.01   0.01    -0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.22   0.04  -0.02    -0.00   0.00  -0.00    -0.00   0.01   0.02
    15   1     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.00
    16   1     0.01   0.04   0.03     0.00   0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.02  -0.01   0.02    -0.00  -0.00  -0.00    -0.24   0.10  -0.16
    18   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.12   0.22   0.13
    19   1     0.01   0.00   0.01    -0.00   0.00  -0.00     0.14  -0.09  -0.13
    20   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.21  -0.41  -0.24
    21   1     0.01  -0.01  -0.01     0.00  -0.00  -0.01     0.42  -0.16   0.30
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14   0.30  -0.31
    23   1    -0.54  -0.03   0.16    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.39  -0.01  -0.18     0.30   0.05  -0.01     0.00   0.00   0.00
    25   1     0.04  -0.02   0.00    -0.09   0.02  -0.19    -0.00  -0.00  -0.00
    26   1     0.03   0.03  -0.01    -0.05  -0.17  -0.11    -0.00   0.00  -0.00
    27   1    -0.01   0.00   0.01     0.05   0.13   0.27     0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.8051              3040.4778              3050.4954
 Red. masses --      1.0360                 1.0372                 1.0581
 Frc consts  --      5.5922                 5.6491                 5.8009
 IR Inten    --     25.7045                 4.3117                43.5468
 RamAct Fr= 1--    272.0983               141.7017               143.8765
  Dep-P Fr= 1--      0.0257                 0.0075                 0.0961
  Dep-U Fr= 1--      0.0501                 0.0149                 0.1754
 Alpha2 Fr= 1--      5.6934                 3.0940                 2.5430
 Beta2  Fr= 1--      2.2711                 0.3528                 4.2059
 AlphaG Fr= 1--     -1.0752                -0.5417                -0.0626
 Gamma2 Fr= 1--      2.7839                -0.0020                -1.4902
 Delta2 Fr= 1--     -0.1326                 1.3635                -3.2192
 Raman1 Fr= 1--    1088.393                566.807                575.506
 ROA1   Fr= 1--     263.014                 43.443               -246.072
 CID1   Fr= 1--       0.242                  0.077                 -0.428
 Raman2 Fr= 1--      27.253                  4.234                 50.470
 ROA2   Fr= 1--      67.874                -10.955                -10.011
 CID2   Fr= 1--       2.491                 -2.588                 -0.198
 Raman3 Fr= 1--      54.506                  8.468                100.940
 ROA3   Fr= 1--     263.014                 43.443               -246.072
 CID3   Fr= 1--       4.825                  5.130                 -2.438
 RC180  Fr= 1--      -0.900                 -0.970                 -0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.06
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
    12   1    -0.07  -0.01   0.00     0.00   0.00   0.00     0.63   0.09  -0.00
    13   1     0.03  -0.01  -0.07    -0.00   0.00   0.00    -0.30   0.15   0.66
    14   1    -0.00   0.02   0.04    -0.00  -0.00  -0.00    -0.00   0.03   0.08
    15   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.08  -0.11  -0.04
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.04
    17   1     0.45  -0.18   0.30    -0.00   0.00  -0.00     0.04  -0.02   0.03
    18   1    -0.23  -0.41  -0.24     0.00   0.00   0.00    -0.03  -0.05  -0.03
    19   1    -0.27   0.18   0.25     0.00  -0.00  -0.00    -0.01   0.01   0.01
    20   1    -0.11  -0.21  -0.13     0.00   0.00   0.00    -0.02  -0.04  -0.02
    21   1     0.22  -0.09   0.15    -0.00   0.00  -0.00     0.02  -0.01   0.01
    22   1     0.08   0.17  -0.17    -0.00  -0.00   0.00     0.01   0.03  -0.03
    23   1     0.00  -0.01  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.17   0.62   0.02    -0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00     0.35  -0.34   0.44    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.38  -0.04   0.08     0.00   0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3061.7898              3069.5982              3080.1243
 Red. masses --      1.0783                 1.0674                 1.1018
 Frc consts  --      5.9558                 5.9255                 6.1586
 IR Inten    --     19.1590                23.8673                 2.0379
 RamAct Fr= 1--     30.9067               235.5193                10.4565
  Dep-P Fr= 1--      0.7131                 0.0180                 0.6141
  Dep-U Fr= 1--      0.8325                 0.0353                 0.7609
 Alpha2 Fr= 1--      0.0197                 5.0184                 0.0261
 Beta2  Fr= 1--      4.2884                 1.3846                 1.3260
 AlphaG Fr= 1--     -0.0989                 0.4578                 0.0345
 Gamma2 Fr= 1--     10.4292                -7.5700                 2.9922
 Delta2 Fr= 1--     -1.1532                -7.5339                 1.2060
 Raman1 Fr= 1--     123.627                942.077                 41.826
 ROA1   Fr= 1--     964.305               -967.801                325.841
 CID1   Fr= 1--       7.800                 -1.027                  7.790
 Raman2 Fr= 1--      51.461                 16.615                 15.912
 ROA2   Fr= 1--     259.527               -121.408                 62.164
 CID2   Fr= 1--       5.043                 -7.307                  3.907
 Raman3 Fr= 1--     102.923                 33.230                 31.825
 ROA3   Fr= 1--     964.305               -967.801                325.841
 CID3   Fr= 1--       9.369                -29.124                 10.239
 RC180  Fr= 1--       0.665                 -0.929                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.04     0.00   0.00   0.01
     4   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.01   0.01  -0.01     0.04   0.01   0.04
     9   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01   0.00   0.00
    10   6    -0.00  -0.03   0.02     0.01  -0.06   0.02     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.04  -0.01  -0.00     0.06   0.01  -0.00     0.06   0.01   0.00
    13   1    -0.01   0.00   0.02    -0.06   0.03   0.14     0.02  -0.01  -0.04
    14   1     0.02   0.26   0.81    -0.01  -0.14  -0.45    -0.00  -0.02  -0.07
    15   1    -0.19   0.25   0.09    -0.38   0.52   0.18    -0.03   0.05   0.01
    16   1     0.22   0.08  -0.30     0.31   0.11  -0.41    -0.00  -0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.41  -0.18   0.28
    18   1     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.21   0.40   0.22
    19   1     0.01  -0.01  -0.01    -0.02   0.01   0.02     0.05  -0.04  -0.07
    20   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01    -0.17  -0.36  -0.21
    21   1    -0.05   0.02  -0.03     0.09  -0.03   0.06    -0.37   0.15  -0.25
    22   1    -0.00  -0.00   0.01    -0.02  -0.03   0.03     0.03   0.05  -0.03
    23   1     0.01  -0.03  -0.07    -0.00   0.01   0.02    -0.00   0.01   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.5089              3089.3587              3091.0755
 Red. masses --      1.1011                 1.1019                 1.1068
 Frc consts  --      6.1765                 6.1965                 6.2310
 IR Inten    --     46.3497                21.5361                26.8831
 RamAct Fr= 1--    124.6292                58.6595                57.8044
  Dep-P Fr= 1--      0.7428                 0.7499                 0.6057
  Dep-U Fr= 1--      0.8524                 0.8571                 0.7544
 Alpha2 Fr= 1--      0.0153                 0.0001                 0.1539
 Beta2  Fr= 1--     17.7057                 8.3794                 7.2682
 AlphaG Fr= 1--      0.0728                -0.0039                -0.1586
 Gamma2 Fr= 1--     -9.6257                14.6967               -37.5918
 Delta2 Fr= 1--      5.1394                 4.1059               -19.2196
 Raman1 Fr= 1--     498.517                234.638                231.218
 ROA1   Fr= 1--    -759.610               1542.266              -4223.842
 CID1   Fr= 1--      -1.524                  6.573                -18.268
 Raman2 Fr= 1--     212.469                100.552                 87.218
 ROA2   Fr= 1--    -272.133                319.873               -748.447
 CID2   Fr= 1--      -1.281                  3.181                 -8.581
 Raman3 Fr= 1--     424.937                201.105                174.436
 ROA3   Fr= 1--    -759.610               1542.266              -4223.842
 CID3   Fr= 1--      -1.788                  7.669                -24.214
 RC180  Fr= 1--       0.705                  0.714                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01  -0.03     0.01  -0.01  -0.01     0.01  -0.02  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.05  -0.01  -0.05     0.01   0.07  -0.04    -0.02  -0.03   0.00
     9   6     0.01   0.00  -0.01    -0.02   0.00   0.01    -0.07   0.00   0.04
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.01  -0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.11  -0.02  -0.00     0.22   0.03   0.01     0.64   0.10   0.02
    13   1    -0.03   0.02   0.08     0.07  -0.04  -0.18     0.19  -0.10  -0.46
    14   1     0.00   0.01   0.04     0.00   0.02   0.05     0.00   0.01   0.04
    15   1     0.04  -0.05  -0.02     0.02  -0.02  -0.01    -0.15   0.22   0.07
    16   1     0.01   0.01  -0.02    -0.03  -0.01   0.03    -0.13  -0.05   0.17
    17   1     0.38  -0.17   0.26    -0.02   0.01  -0.02    -0.02   0.00  -0.02
    18   1     0.18   0.35   0.19     0.04   0.06   0.04     0.06   0.10   0.06
    19   1     0.07  -0.06  -0.09    -0.11   0.07   0.11    -0.13   0.08   0.12
    20   1     0.18   0.39   0.23    -0.15  -0.28  -0.19     0.10   0.20   0.12
    21   1     0.41  -0.17   0.28     0.25  -0.08   0.16     0.02  -0.02   0.02
    22   1    -0.04  -0.05   0.04    -0.26  -0.52   0.54     0.08   0.17  -0.19
    23   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.2829              3096.6647              3116.9024
 Red. masses --      1.0993                 1.1008                 1.1072
 Frc consts  --      6.2093                 6.2194                 6.3377
 IR Inten    --      9.7706                30.5653                38.1556
 RamAct Fr= 1--     30.1754                59.4660                93.7697
  Dep-P Fr= 1--      0.7471                 0.7500                 0.5807
  Dep-U Fr= 1--      0.8552                 0.8571                 0.7348
 Alpha2 Fr= 1--      0.0015                 0.0000                 0.2975
 Beta2  Fr= 1--      4.3011                 8.4951                11.4833
 AlphaG Fr= 1--     -0.0553                 0.0002                 0.2556
 Gamma2 Fr= 1--     -0.4161                14.1989                24.8198
 Delta2 Fr= 1--     -0.4197                -2.2965                16.6565
 Raman1 Fr= 1--     120.702                237.864                375.079
 ROA1   Fr= 1--     -53.378               1289.603               2915.711
 CID1   Fr= 1--      -0.442                  5.422                  7.774
 Raman2 Fr= 1--      51.613                101.941                137.800
 ROA2   Fr= 1--      -6.629                359.144                462.424
 CID2   Fr= 1--      -0.128                  3.523                  3.356
 Raman3 Fr= 1--     103.227                203.883                275.599
 ROA3   Fr= 1--     -53.378               1289.603               2915.711
 CID3   Fr= 1--      -0.517                  6.325                 10.580
 RC180  Fr= 1--       0.710                  0.714                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.06   0.05     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.00
     9   6     0.00   0.00  -0.00    -0.02   0.00   0.01     0.03  -0.00  -0.02
    10   6    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.06  -0.02  -0.06
    11   6     0.02  -0.08   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.01  -0.00  -0.00     0.18   0.03   0.01    -0.24  -0.04  -0.01
    13   1    -0.00   0.00   0.01     0.07  -0.04  -0.16    -0.10   0.05   0.25
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.00   0.02   0.07
    15   1     0.00  -0.00  -0.00    -0.05   0.08   0.02    -0.31   0.45   0.14
    16   1     0.00   0.00  -0.01    -0.06  -0.02   0.07    -0.41  -0.18   0.56
    17   1    -0.01   0.00  -0.01     0.16  -0.06   0.13    -0.01   0.00  -0.00
    18   1     0.01   0.02   0.01    -0.19  -0.31  -0.17     0.01   0.01   0.01
    19   1    -0.03   0.02   0.03     0.55  -0.34  -0.52    -0.02   0.01   0.02
    20   1     0.00   0.00   0.00    -0.02  -0.03  -0.02    -0.01  -0.02  -0.02
    21   1    -0.00   0.00  -0.00     0.04  -0.01   0.02     0.01  -0.00   0.01
    22   1     0.00   0.01  -0.01    -0.03  -0.06   0.06    -0.03  -0.05   0.06
    23   1     0.00  -0.00  -0.01    -0.01   0.03   0.08     0.01  -0.04  -0.10
    24   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.20   0.68   0.04     0.01   0.04   0.00    -0.00   0.00   0.00
    26   1    -0.39   0.34  -0.47    -0.02   0.02  -0.03    -0.00   0.00  -0.00
    27   1    -0.01  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.4068              3146.1764              3158.7765
 Red. masses --      1.0888                 1.1008                 1.0883
 Frc consts  --      6.3226                 6.4201                 6.3980
 IR Inten    --     12.0967                10.3980                 9.9823
 RamAct Fr= 1--     62.6555                78.0572                52.0063
  Dep-P Fr= 1--      0.1649                 0.6132                 0.2094
  Dep-U Fr= 1--      0.2832                 0.7602                 0.3463
 Alpha2 Fr= 1--      0.9324                 0.1962                 0.6888
 Beta2  Fr= 1--      2.9569                 9.8900                 3.0017
 AlphaG Fr= 1--     -0.3600                 0.0608                 0.4122
 Gamma2 Fr= 1--     -1.8136                 1.3993                 2.2776
 Delta2 Fr= 1--     -0.0298                 1.3463                 1.0751
 Raman1 Fr= 1--     250.622                312.229                208.025
 ROA1   Fr= 1--    -175.059                177.413                253.054
 CID1   Fr= 1--      -0.698                  0.568                  1.216
 Raman2 Fr= 1--      35.483                118.680                 36.020
 ROA2   Fr= 1--     -43.288                 22.813                 46.061
 CID2   Fr= 1--      -1.220                  0.192                  1.279
 Raman3 Fr= 1--      70.966                237.360                 72.040
 ROA3   Fr= 1--    -175.059                177.413                253.054
 CID3   Fr= 1--      -2.467                  0.747                  3.513
 RC180  Fr= 1--      -0.434                  0.520                 -0.307
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.03  -0.07     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     5   6     0.00   0.01   0.02     0.00   0.00   0.01     0.00  -0.03  -0.08
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.01   0.00  -0.00    -0.09  -0.02   0.00    -0.00  -0.00   0.00
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   1    -0.02   0.01   0.04    -0.00   0.00   0.01    -0.00   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.04
    15   1    -0.03   0.05   0.02    -0.00   0.01   0.00    -0.00   0.01   0.00
    16   1    -0.03  -0.01   0.04    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.06   0.03   0.05    -0.01   0.01   0.01    -0.01   0.01   0.01
    20   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.09   0.36   0.87    -0.01   0.06   0.13    -0.02   0.08   0.19
    24   1     0.01  -0.08  -0.18     0.01  -0.03  -0.08    -0.06   0.38   0.89
    25   1    -0.00  -0.02  -0.00     0.06   0.26   0.01     0.00   0.01   0.00
    26   1    -0.01   0.01  -0.02     0.13  -0.14   0.18     0.01  -0.01   0.01
    27   1    -0.15  -0.01   0.04     0.88   0.08  -0.20     0.04   0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   822.245333556.796303632.79357
           X            0.99977  -0.01240  -0.01744
           Y            0.01269   0.99978   0.01688
           Z            0.01723  -0.01710   0.99971
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10534     0.02435     0.02384
 Rotational constants (GHZ):           2.19489     0.50741     0.49679
 Zero-point vibrational energy     622135.1 (Joules/Mol)
                                  148.69385 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.50    88.44   106.17   179.38   218.24
          (Kelvin)            223.31   315.21   348.53   387.03   402.27
                              478.22   509.81   533.88   578.88   643.11
                              775.57   804.62   847.84   906.76  1050.43
                             1155.84  1213.15  1251.47  1285.04  1303.37
                             1362.04  1376.39  1404.07  1419.00  1460.47
                             1472.29  1491.79  1507.98  1512.27  1662.22
                             1719.52  1733.43  1766.32  1787.21  1801.16
                             1828.78  1842.99  1855.95  1876.00  1924.19
                             1982.32  1998.51  2022.45  2047.19  2117.27
                             2129.59  2133.94  2136.87  2147.31  2161.01
                             2165.93  2171.12  2439.22  2498.72  4347.20
                             4354.90  4374.57  4388.98  4405.23  4416.47
                             4431.61  4439.36  4444.90  4447.37  4454.86
                             4455.41  4484.53  4516.91  4526.65  4544.77
 
 Zero-point correction=                           0.236959 (Hartree/Particle)
 Thermal correction to Energy=                    0.249458
 Thermal correction to Enthalpy=                  0.250402
 Thermal correction to Gibbs Free Energy=         0.197971
 Sum of electronic and zero-point Energies=           -465.873446
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912433
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.537             46.448            110.350
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.742
 Vibrational            154.760             40.487             38.640
 Vibration     1          0.594              1.981              5.331
 Vibration     2          0.597              1.973              4.409
 Vibration     3          0.599              1.966              4.050
 Vibration     4          0.610              1.928              3.027
 Vibration     5          0.619              1.901              2.651
 Vibration     6          0.620              1.897              2.607
 Vibration     7          0.647              1.812              1.967
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.673              1.730              1.603
 Vibration    10          0.680              1.711              1.536
 Vibration    11          0.714              1.611              1.248
 Vibration    12          0.730              1.566              1.147
 Vibration    13          0.743              1.532              1.075
 Vibration    14          0.768              1.465              0.954
 Vibration    15          0.806              1.368              0.805
 Vibration    16          0.894              1.164              0.567
 Vibration    17          0.915              1.120              0.525
 Vibration    18          0.947              1.055              0.468
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.870030D-91        -91.060466       -209.674471
 Total V=0       0.856814D+18         17.932887         41.291998
 Vib (Bot)       0.101112-104       -104.995196       -241.760373
 Vib (Bot)    1  0.536439D+01          0.729521          1.679783
 Vib (Bot)    2  0.335883D+01          0.526188          1.211594
 Vib (Bot)    3  0.279335D+01          0.446126          1.027242
 Vib (Bot)    4  0.163727D+01          0.214121          0.493032
 Vib (Bot)    5  0.133610D+01          0.125838          0.289752
 Vib (Bot)    6  0.130444D+01          0.115425          0.265776
 Vib (Bot)    7  0.903208D+00         -0.044212         -0.101802
 Vib (Bot)    8  0.808607D+00         -0.092262         -0.212442
 Vib (Bot)    9  0.718810D+00         -0.143386         -0.330158
 Vib (Bot)   10  0.687807D+00         -0.162533         -0.374247
 Vib (Bot)   11  0.561322D+00         -0.250788         -0.577460
 Vib (Bot)   12  0.519222D+00         -0.284647         -0.655424
 Vib (Bot)   13  0.490277D+00         -0.309559         -0.712785
 Vib (Bot)   14  0.442236D+00         -0.354346         -0.815912
 Vib (Bot)   15  0.384589D+00         -0.415004         -0.955581
 Vib (Bot)   16  0.294181D+00         -0.531385         -1.223559
 Vib (Bot)   17  0.278123D+00         -0.555763         -1.279690
 Vib (Bot)   18  0.256186D+00         -0.591445         -1.361853
 Vib (V=0)       0.995765D+04          3.998157          9.206096
 Vib (V=0)    1  0.588764D+01          0.769942          1.772856
 Vib (V=0)    2  0.389584D+01          0.590602          1.359910
 Vib (V=0)    3  0.333775D+01          0.523454          1.205296
 Vib (V=0)    4  0.221192D+01          0.344769          0.793860
 Vib (V=0)    5  0.192659D+01          0.284789          0.655750
 Vib (V=0)    6  0.189699D+01          0.278064          0.640266
 Vib (V=0)    7  0.153237D+01          0.185363          0.426815
 Vib (V=0)    8  0.145071D+01          0.161580          0.372052
 Vib (V=0)    9  0.137561D+01          0.138495          0.318895
 Vib (V=0)   10  0.135034D+01          0.130443          0.300357
 Vib (V=0)   11  0.125172D+01          0.097507          0.224518
 Vib (V=0)   12  0.122083D+01          0.086654          0.199529
 Vib (V=0)   13  0.120027D+01          0.079277          0.182542
 Vib (V=0)   14  0.116751D+01          0.067261          0.154875
 Vib (V=0)   15  0.113080D+01          0.053386          0.122925
 Vib (V=0)   16  0.108012D+01          0.033473          0.077075
 Vib (V=0)   17  0.107215D+01          0.030254          0.069664
 Vib (V=0)   18  0.106181D+01          0.026047          0.059975
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116680D+07          6.066996         13.969775
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000010965    0.000003526   -0.000010813
      2        6           0.000016793    0.000000254    0.000042509
      3        6          -0.000027443    0.000021782   -0.000034830
      4        6           0.000007155   -0.000024500    0.000006201
      5        6          -0.000004801    0.000003923   -0.000000200
      6        6          -0.000000189   -0.000008067   -0.000002143
      7        8           0.000002207    0.000001575   -0.000001639
      8        6          -0.000003080   -0.000005121   -0.000015391
      9        6          -0.000021396   -0.000008328   -0.000012893
     10        6           0.000016201    0.000007672    0.000018905
     11        6          -0.000003189    0.000000037    0.000011319
     12        1           0.000001910    0.000004236    0.000006469
     13        1           0.000002822    0.000002776    0.000009815
     14        1          -0.000001140    0.000003881    0.000001219
     15        1           0.000003819    0.000002861   -0.000007810
     16        1           0.000006388   -0.000011574   -0.000002855
     17        1           0.000000582   -0.000000013   -0.000001417
     18        1          -0.000002340   -0.000007148    0.000000758
     19        1           0.000001801   -0.000009880   -0.000001226
     20        1          -0.000001305   -0.000001896   -0.000004005
     21        1          -0.000000117    0.000001382    0.000002785
     22        1          -0.000003935    0.000008557    0.000000441
     23        1          -0.000002502    0.000009776    0.000000145
     24        1           0.000004269    0.000004902   -0.000005446
     25        1          -0.000001012    0.000001179   -0.000001464
     26        1          -0.000001853   -0.000000987   -0.000000963
     27        1          -0.000000612   -0.000000807    0.000002530
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042509 RMS     0.000010125
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171808D+03  0.713723D+01  0.515176D+01
      2   0.713723D+01  0.111182D+03  0.434458D+01
      3   0.515176D+01  0.434458D+01  0.114247D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.927040D+01  0.952258D+01 -0.292246D+01
      2   0.126650D+02 -0.121050D+02  0.157837D+02
      3   0.302323D+02 -0.447374D+02  0.200682D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.678223D+02 -0.450542D+02 -0.252603D+02
      2   0.587179D+02  0.397343D+02 -0.390045D+01
      3   0.910440D+01  0.531987D+01  0.291607D+02
      4  -0.438913D+02  0.100499D+03 -0.412468D+02
      5  -0.211835D+02 -0.465399D+02  0.239060D+02
      6  -0.235491D+02  0.144478D+02 -0.107868D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.219641D+01  0.147315D+01 -0.418488D+01  0.841121D+00  0.922597D+00
      2   0.147315D+01  0.940938D+00  0.362496D+01  0.922597D+00  0.330871D+01
      3  -0.418488D+01  0.362496D+01 -0.469911D+00  0.368594D+01  0.121858D+01
                 6             7             8             9            10 
      1   0.368594D+01 -0.474406D+01  0.376585D+01 -0.376563D+00  0.186045D+02
      2   0.121858D+01  0.376585D+01  0.166045D+01 -0.228958D+00 -0.227196D+01
      3  -0.882782D+00 -0.376563D+00 -0.228958D+00 -0.193500D+01  0.500404D+01
                11            12            13            14            15 
      1  -0.227196D+01  0.500404D+01 -0.563529D+01  0.131941D+01 -0.409593D+01
      2  -0.221850D-01 -0.324622D+01  0.131941D+01 -0.454205D+01 -0.216963D+01
      3  -0.324622D+01  0.209477D+00 -0.409593D+01 -0.216963D+01  0.336435D-01
                16            17            18            19            20 
      1   0.159528D+02 -0.398613D+01  0.187483D+01 -0.390860D+02 -0.191918D+01
      2  -0.398613D+01 -0.200617D+01  0.131589D+00 -0.191918D+01 -0.382004D+01
      3   0.187483D+01  0.131589D+00  0.102985D+01 -0.422012D+01  0.105647D+01
                21            22            23            24            25 
      1  -0.422012D+01  0.362745D+01 -0.782888D+01  0.265831D+01 -0.679735D+01
      2   0.105647D+01 -0.782888D+01 -0.171813D+01 -0.599138D+00  0.224998D+01
      3  -0.622437D+00  0.265831D+01 -0.599138D+00  0.287154D+01 -0.840172D+00
                26            27            28            29            30 
      1   0.224998D+01 -0.840172D+00  0.592606D+02  0.602779D+01  0.515840D+01
      2  -0.680836D+00  0.275688D+01  0.602779D+01  0.335106D+01 -0.173304D+00
      3   0.275688D+01  0.369413D+01  0.515840D+01 -0.173304D+00  0.201952D+01
                31            32            33            34            35 
      1   0.122400D+02  0.721265D+01 -0.687994D+00  0.922686D+01 -0.120481D+00
      2   0.721265D+01  0.378122D+01 -0.249017D-01 -0.120481D+00  0.579365D+00
      3  -0.687994D+00 -0.249017D-01 -0.174850D+01  0.396555D+01 -0.179592D+01
                36            37            38            39            40 
      1   0.396555D+01 -0.577652D+02 -0.786415D+01 -0.616641D+01 -0.126957D+02
      2  -0.179592D+01 -0.786415D+01 -0.270440D+01  0.106251D+00 -0.532911D+01
      3  -0.215192D+01 -0.616641D+01  0.106251D+00 -0.744110D+00  0.343063D-01
                41            42            43            44            45 
      1  -0.532911D+01  0.343063D-01 -0.791396D+01  0.638417D-01 -0.321561D+01
      2  -0.282007D+01 -0.283560D+00  0.638417D-01 -0.670747D+00  0.252394D+01
      3  -0.283560D+00  0.291690D+01 -0.321561D+01  0.252394D+01  0.270862D+01
                46            47            48            49            50 
      1   0.410857D+02  0.778895D+01  0.601074D+01  0.956256D+01  0.196680D+01
      2   0.778895D+01  0.850461D+00  0.163054D+01  0.196680D+01  0.861190D+00
      3   0.601074D+01  0.163054D+01  0.953280D+00  0.217773D+01  0.244171D+00
                51            52            53            54            55 
      1   0.217773D+01  0.440638D+01  0.190166D+01  0.203455D+01 -0.339774D+02
      2   0.244171D+00  0.190166D+01  0.326799D+00 -0.980902D+00 -0.603016D+01
      3  -0.114392D+01  0.203455D+01 -0.980902D+00 -0.221969D+01 -0.570396D+01
                56            57            58            59            60 
      1  -0.603016D+01 -0.570396D+01 -0.130384D+02 -0.642269D+01 -0.145826D+01
      2  -0.217383D+01 -0.126581D+01 -0.642269D+01 -0.397907D+01 -0.217397D+01
      3  -0.126581D+01 -0.275702D+01 -0.145826D+01 -0.217397D+01 -0.677592D+00
                61            62            63            64            65 
      1  -0.188349D+02 -0.310392D+01 -0.586348D+01 -0.694384D+01  0.153994D+01
      2  -0.310392D+01 -0.135739D+01 -0.147597D+01  0.153994D+01  0.477543D+00
      3  -0.586348D+01 -0.147597D+01 -0.424126D+01 -0.304171D+01  0.382151D+01
                66            67            68            69            70 
      1  -0.304171D+01  0.159107D+01 -0.454749D+00  0.379351D+01 -0.676917D+01
      2   0.382151D+01 -0.454749D+00  0.269160D+01  0.322570D+01  0.377752D+01
      3  -0.129015D+00  0.379351D+01  0.322570D+01 -0.106500D+01 -0.138376D+01
                71            72            73            74            75 
      1   0.377752D+01 -0.138376D+01 -0.629249D+01 -0.182039D+01 -0.159225D+01
      2   0.309081D+01 -0.407795D+00 -0.182039D+01  0.150819D+01 -0.369646D+00
      3  -0.407795D+00  0.159565D+01 -0.159225D+01 -0.369646D+00  0.255236D+01
                76            77            78            79            80 
      1  -0.192018D+01  0.217772D+01 -0.737080D+00  0.100897D+00 -0.198615D+00
      2   0.217772D+01  0.541255D+01  0.226386D+01 -0.198615D+00  0.182620D+01
      3  -0.737080D+00  0.226386D+01 -0.169496D+01  0.237462D+01 -0.230144D+01
                81            82            83            84            85 
      1   0.237462D+01  0.567414D+01  0.209459D+01  0.101438D+01  0.501104D+01
      2  -0.230144D+01  0.209459D+01  0.443695D+01  0.248931D+01  0.610298D+01
      3  -0.281364D+01  0.101438D+01  0.248931D+01 -0.310618D+01  0.168804D+01
                86            87            88            89            90 
      1   0.610298D+01  0.168804D+01  0.713416D+01  0.461391D+01 -0.329225D+01
      2  -0.161898D+01  0.427996D+00  0.461391D+01  0.410421D+00 -0.180052D+00
      3   0.427996D+00  0.293797D-01 -0.329225D+01 -0.180052D+00  0.500267D+00
                91            92            93            94            95 
      1   0.875710D+01  0.968035D+00 -0.284586D+01  0.224803D+01 -0.134283D+01
      2   0.968035D+00 -0.224214D+01 -0.107942D+00 -0.134283D+01 -0.388909D+01
      3  -0.284586D+01 -0.107942D+00 -0.277217D+01 -0.469298D+00 -0.128074D+01
                96            97            98            99           100 
      1  -0.469298D+00 -0.476391D+00 -0.244209D+00 -0.288666D+01  0.109418D+02
      2  -0.128074D+01 -0.244209D+00 -0.692584D+00  0.196453D+01  0.254784D+01
      3   0.212722D+01 -0.288666D+01  0.196453D+01  0.666012D+00  0.231121D+01
               101           102           103           104           105 
      1   0.254784D+01  0.231121D+01  0.120646D+01  0.147312D+01  0.271962D+00
      2   0.212804D+01  0.603008D+00  0.147312D+01  0.681297D+00  0.221389D+00
      3   0.603008D+00  0.152661D+01  0.271962D+00  0.221389D+00  0.373017D+00
               106           107           108           109           110 
      1   0.584426D+00  0.206708D+00  0.108204D+01 -0.303921D+00  0.517800D+00
      2   0.206708D+00 -0.851592D-01  0.626947D+00  0.517800D+00 -0.997040D+00
      3   0.108204D+01  0.626947D+00  0.104220D+01  0.960519D+00 -0.397007D+00
               111           112           113           114           115 
      1   0.960519D+00  0.312124D+00 -0.150176D+00  0.602200D-01  0.119808D+01
      2  -0.397007D+00 -0.150176D+00  0.748250D+00  0.986311D+00  0.578451D-01
      3  -0.205080D+01  0.602200D-01  0.986311D+00  0.141549D+01 -0.170681D+00
               116           117           118           119           120 
      1   0.578451D-01 -0.170681D+00 -0.417515D+00 -0.449984D+00 -0.656857D+00
      2   0.202388D+01  0.206432D+01 -0.449984D+00  0.269714D+00 -0.123992D+00
      3   0.206432D+01  0.736054D+01 -0.656857D+00 -0.123992D+00 -0.105321D+00
               121           122           123           124           125 
      1  -0.201394D+01  0.377694D+00 -0.232225D-01 -0.137346D+01  0.667546D-01
      2   0.377694D+00 -0.797448D+00 -0.115957D+01  0.667546D-01 -0.137229D+01
      3  -0.232225D-01 -0.115957D+01 -0.169050D+01  0.431209D+00 -0.110402D+01
               126           127           128           129           130 
      1   0.431209D+00 -0.206405D+01  0.162326D+01 -0.958380D-01  0.554013D+00
      2  -0.110402D+01  0.162326D+01 -0.419504D+01 -0.246124D+00 -0.184964D+01
      3  -0.676939D+01 -0.958380D-01 -0.246124D+00 -0.326045D+00 -0.272118D+00
               131           132           133           134           135 
      1  -0.184964D+01 -0.272118D+00  0.228998D+00 -0.566779D+00  0.213450D+00
      2   0.803042D+01  0.482047D-01 -0.566779D+00  0.146827D+01  0.113550D+01
      3   0.482047D-01  0.980809D+00  0.213450D+00  0.113550D+01  0.272407D+00
               136           137           138           139           140 
      1   0.300863D+01  0.151858D+01 -0.193316D+01 -0.198155D+00  0.830942D+00
      2   0.151858D+01  0.158072D+01 -0.141517D+01  0.830942D+00  0.219939D+01
      3  -0.193316D+01 -0.141517D+01  0.250536D+01 -0.100550D+01 -0.146935D+01
               141           142           143           144           145 
      1  -0.100550D+01 -0.438544D+01 -0.234828D+01  0.276787D+01  0.526298D+01
      2  -0.146935D+01 -0.234828D+01 -0.284161D+01  0.236859D+01 -0.232790D+01
      3   0.126400D+01  0.276787D+01  0.236859D+01 -0.454938D+01  0.314428D+01
               146           147           148           149           150 
      1  -0.232790D+01  0.314428D+01 -0.135535D+01  0.148160D+01 -0.127194D+01
      2   0.249236D+01 -0.210460D+01  0.148160D+01 -0.238614D+01  0.140123D+01
      3  -0.210460D+01  0.328389D+01 -0.127194D+01  0.140123D+01 -0.125735D+01
               151           152           153           154           155 
      1   0.233326D+01 -0.162319D+01  0.229899D+01 -0.132179D+01 -0.141002D+01
      2  -0.162319D+01  0.145082D+01 -0.182390D+01 -0.141002D+01 -0.243141D+01
      3   0.229899D+01 -0.182390D+01  0.373807D+01  0.122780D+00 -0.394756D+00
               156           157           158           159           160 
      1   0.122780D+00 -0.135978D+01 -0.137483D+01 -0.411465D+00 -0.494155D+00
      2  -0.394756D+00 -0.137483D+01 -0.662433D+01 -0.379640D+00 -0.693187D+00
      3  -0.580497D+00 -0.411465D+00 -0.379640D+00 -0.125640D+01 -0.279698D+00
               161           162           163           164           165 
      1  -0.693187D+00 -0.279698D+00 -0.351705D+01  0.688337D+00  0.190581D+01
      2  -0.252268D+01 -0.790790D+00  0.688337D+00 -0.116434D+01 -0.283494D+00
      3  -0.790790D+00 -0.799156D+00  0.190581D+01 -0.283494D+00 -0.243181D+01
               166           167           168           169           170 
      1   0.171339D+01 -0.949091D+00 -0.714614D+00  0.194141D+01 -0.657794D+00
      2  -0.949091D+00  0.714789D+00  0.317384D+00 -0.657794D+00  0.786742D+00
      3  -0.714614D+00  0.317384D+00  0.157094D+01 -0.187541D+01  0.258732D+00
               171           172           173           174           175 
      1  -0.187541D+01 -0.331041D+00 -0.652199D+00 -0.672863D-01 -0.152754D+01
      2   0.258732D+00 -0.652199D+00 -0.192226D+01 -0.118545D+01  0.399867D+00
      3   0.399579D+01 -0.672863D-01 -0.118545D+01 -0.111276D+01 -0.513721D-01
               176           177           178           179           180 
      1   0.399867D+00 -0.513721D-01 -0.299333D+00 -0.195819D+00  0.303640D+00
      2  -0.590227D+01 -0.276613D+01 -0.195819D+00 -0.274080D+01 -0.200761D+01
      3  -0.276613D+01 -0.219565D+01  0.303640D+00 -0.200761D+01 -0.257584D+01
               181           182           183           184           185 
      1   0.843821D+01 -0.286412D+01  0.156349D+01 -0.223938D+01  0.205726D+01
      2  -0.286412D+01  0.184378D+01 -0.789582D+00  0.205726D+01 -0.189361D+01
      3   0.156349D+01 -0.789582D+00  0.150440D+01 -0.715692D+00  0.176293D+00
               186           187           188           189           190 
      1  -0.715692D+00  0.535270D+01 -0.183798D+01  0.172116D+01  0.279682D+01
      2   0.176293D+00 -0.183798D+01  0.116575D+01 -0.646275D+00  0.687212D+00
      3  -0.482637D+00  0.172116D+01 -0.646275D+00  0.148932D+01 -0.127977D+01
               191           192           193           194           195 
      1   0.687212D+00 -0.127977D+01  0.218184D+01  0.710355D+00 -0.175861D+01
      2   0.646716D+00 -0.923790D+00  0.710355D+00  0.205876D+01 -0.160359D+01
      3  -0.923790D+00  0.152964D+01 -0.175861D+01 -0.160359D+01  0.247140D+01
               196           197           198           199           200 
      1  -0.189853D+01 -0.934918D+00  0.236363D+01  0.132781D+01  0.776751D+00
      2  -0.934918D+00 -0.186920D+01  0.133487D+01  0.776751D+00  0.103808D+00
      3   0.236363D+01  0.133487D+01 -0.433080D+01  0.116811D+01 -0.991287D-01
               201           202           203           204           205 
      1   0.116811D+01  0.173261D+01 -0.910445D+00  0.259648D+00  0.196068D+01
      2  -0.991287D-01 -0.910445D+00  0.743368D+00  0.104665D+01  0.408592D+00
      3  -0.429516D+00  0.259648D+00  0.104665D+01  0.157437D+01 -0.345340D+00
               206           207           208           209           210 
      1   0.408592D+00 -0.345340D+00 -0.930339D+00 -0.517965D+00 -0.888088D+00
      2   0.146542D+01  0.148102D+01 -0.517965D+00 -0.699469D-01 -0.394543D-01
      3   0.148102D+01  0.432754D+01 -0.888088D+00 -0.394543D-01  0.212834D-01
               211           212           213           214           215 
      1  -0.101225D+01  0.109276D+00 -0.414990D+00 -0.179402D+01 -0.309230D+00
      2   0.109276D+00 -0.124687D+01 -0.142711D+01 -0.309230D+00 -0.171656D+01
      3  -0.414990D+00 -0.142711D+01 -0.238604D+01 -0.289615D+00 -0.204373D+01
               216           217           218           219           220 
      1  -0.289615D+00 -0.853622D+00  0.577640D+00  0.191808D+00  0.214558D+01
      2  -0.204373D+01  0.577640D+00  0.114887D+01  0.312308D+00 -0.181584D+00
      3  -0.685069D+01  0.191808D+00  0.312308D+00  0.103128D+01 -0.702003D+00
               221           222           223           224           225 
      1  -0.181584D+00 -0.702003D+00  0.881196D+00  0.135432D+00  0.981270D-01
      2   0.704617D+01  0.168189D+01  0.135432D+00  0.509371D+00  0.684077D+00
      3   0.168189D+01  0.191270D+01  0.981270D-01  0.684077D+00  0.769140D+00
               226           227           228           229           230 
      1   0.548873D+00 -0.916663D+00  0.927475D+00 -0.130996D+01  0.572553D+00
      2  -0.916663D+00  0.115607D+01 -0.398374D+00  0.572553D+00 -0.107546D+01
      3   0.927475D+00 -0.398374D+00  0.270909D+01 -0.136030D+00  0.155937D+01
               231           232           233           234           235 
      1  -0.136030D+00  0.262282D+01 -0.460912D+00  0.607491D+00 -0.970646D+01
      2   0.155937D+01 -0.460912D+00  0.149021D+01 -0.133472D+01  0.214805D+00
      3  -0.255238D+01  0.607491D+00 -0.133472D+01  0.490533D+01  0.319315D+01
               236           237           238           239           240 
      1   0.214805D+00  0.319315D+01 -0.661437D+00 -0.920810D+00  0.296440D+00
      2  -0.119258D+01 -0.805166D-01 -0.920810D+00  0.215798D+00  0.518286D+00
      3  -0.805166D-01 -0.220858D+01  0.296440D+00  0.518286D+00 -0.507699D+00
               241           242           243 
      1   0.185613D+01  0.333466D-01 -0.131791D+01
      2   0.333466D-01  0.301501D+00 -0.208908D+00
      3  -0.131791D+01 -0.208908D+00  0.114191D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.605427D+01  0.937338D+01  0.545134D+01  0.875490D+01  0.912910D+01
      2  -0.804679D+01  0.205419D+01  0.781194D+01  0.652332D+01 -0.637315D-01
      3  -0.280871D+01 -0.796073D+01  0.235062D+01 -0.368153D+00 -0.703367D+01
                 6             7             8             9            10 
      1  -0.199944D+01  0.584404D+01  0.465981D+01 -0.504386D+01  0.396648D+01
      2  -0.688429D+01  0.359136D+01 -0.709544D+01 -0.277046D+01  0.175051D+02
      3  -0.871547D+01  0.115366D+01 -0.104259D+02  0.635936D+00  0.907547D+01
                11            12            13            14            15 
      1  -0.469594D+01 -0.897611D-01 -0.588759D+01 -0.583478D+01 -0.490480D+01
      2  -0.771810D+01  0.447021D+01 -0.107171D+02 -0.331944D+01  0.298555D+00
      3  -0.203085D+01  0.700137D+01  0.667784D+01  0.120808D+02  0.905145D+01
                16            17            18            19            20 
      1   0.170546D+01  0.383082D+01 -0.439738D+00  0.224961D+01  0.243560D+01
      2   0.425492D+01  0.131029D+01  0.318548D+01 -0.265848D+02 -0.164121D+01
      3   0.921243D+01  0.926746D+01 -0.671294D+00 -0.154533D+02 -0.402144D+01
                21            22            23            24            25 
      1  -0.119279D+01  0.567647D+01  0.327455D+01 -0.254754D+01 -0.341780D+01
      2  -0.828890D-01 -0.104227D+00 -0.625062D+01  0.426109D+01 -0.148210D+02
      3  -0.317046D+01  0.589276D+01 -0.580093D+01  0.238746D+01 -0.307774D+01
                26            27            28            29            30 
      1   0.368000D+01 -0.373142D+01 -0.817966D+01  0.864068D+00 -0.426309D+00
      2   0.239695D+01  0.226807D+00  0.305863D+02  0.538603D+01 -0.117657D+01
      3   0.319675D+00 -0.187682D+01  0.165766D+02  0.787720D+01 -0.926464D-01
                31            32            33            34            35 
      1   0.605782D+01 -0.857521D+00 -0.280797D+01 -0.263191D+01  0.177541D+01
      2   0.129942D+02  0.333028D+01  0.263341D-01 -0.201075D+02 -0.193993D+01
      3   0.356630D+02  0.924375D+01  0.277289D+01 -0.128665D+01 -0.425262D+00
                36            37            38            39            40 
      1   0.327439D+01  0.827791D+01 -0.197754D+01  0.963674D+00 -0.691334D+01
      2  -0.260750D+00 -0.226177D+02 -0.548528D+01  0.347512D+01 -0.119996D+02
      3   0.431037D+00 -0.223833D+02 -0.112715D+02 -0.569018D+00 -0.296144D+01
                41            42            43            44            45 
      1  -0.123751D+00 -0.807376D+00  0.765862D+01  0.182288D+01 -0.469840D+00
      2  -0.352914D+01 -0.519228D+01 -0.129949D+02 -0.634954D+01 -0.116583D+02
      3  -0.368513D+01  0.174022D+01  0.119840D+01  0.312098D+01  0.364777D+01
                46            47            48            49            50 
      1  -0.646762D+01  0.893284D+01 -0.317750D+00  0.383616D+01 -0.643230D+01
      2   0.648726D+01  0.508511D+01 -0.757955D+01  0.432838D+01 -0.361378D+00
      3   0.143420D+02  0.156007D+02  0.114723D+01  0.230090D+02  0.573037D+01
                51            52            53            54            55 
      1  -0.136108D+02  0.191652D+00 -0.267289D+01  0.940932D+01  0.364408D+01
      2  -0.229942D+01 -0.158429D+02  0.151494D+00  0.628813D+01 -0.578269D+01
      3  -0.222499D+01 -0.766643D+00  0.727549D+00 -0.509095D+00 -0.114495D+02
                56            57            58            59            60 
      1  -0.205042D+01 -0.107661D+01  0.306684D+01  0.284780D+01  0.328334D+00
      2  -0.734376D+00  0.171496D+02 -0.474297D+01  0.267522D+01  0.640185D+01
      3  -0.179145D+02 -0.289711D+01 -0.132676D+02 -0.137363D+02 -0.455312D+01
                61            62            63            64            65 
      1   0.872899D+00  0.369687D+01 -0.300694D+01 -0.413106D+01  0.489859D+01
      2   0.171871D+01  0.224111D+01  0.132324D+02 -0.144984D+02  0.144093D+02
      3  -0.521988D+01 -0.890795D+01 -0.401672D+01  0.457451D+00 -0.556702D+01
                66            67            68            69            70 
      1  -0.512741D+01  0.671715D+01  0.212125D+01 -0.696112D+01 -0.734710D+01
      2  -0.151205D+01  0.135962D+02  0.115772D+02  0.463486D+00 -0.128466D+02
      3  -0.100565D+02  0.427437D+01 -0.992514D+01 -0.169582D+02 -0.107755D+02
                71            72            73            74            75 
      1  -0.125611D+01  0.383248D+01 -0.124950D+01  0.440189D+01 -0.532477D+01
      2   0.317616D+01  0.606389D+01  0.647092D+01  0.235174D+01  0.125317D+02
      3  -0.161089D+02  0.307013D+01 -0.233321D+01 -0.114048D+02  0.119515D+00
                76            77            78            79            80 
      1   0.154287D+01  0.240308D+01  0.434378D+01 -0.411835D+01  0.878831D+01
      2   0.676377D+00  0.360172D+01 -0.531312D+01  0.511070D+01 -0.730744D+01
      3  -0.504993D+01 -0.126895D+02 -0.861382D+01  0.153020D+01 -0.735391D+01
                81            82            83            84            85 
      1   0.367694D+00 -0.310259D+01 -0.113962D+02  0.790316D+01 -0.121779D+02
      2  -0.116666D+02  0.611016D+01  0.484552D+01 -0.279897D+01  0.705529D+01
      3   0.115140D+02  0.683510D+00 -0.914730D+01 -0.359304D+01  0.284060D+01
                86            87            88            89            90 
      1   0.121317D+01 -0.369525D+01  0.759563D+01  0.264360D+01 -0.998006D-01
      2   0.604984D+01  0.184557D+01 -0.348337D+01  0.306377D+01 -0.244471D+01
      3   0.148783D+02  0.470655D+01 -0.234098D+00  0.976424D+01 -0.919316D+01
                91            92            93            94            95 
      1   0.210365D+01 -0.604069D+01  0.323324D+01  0.207842D+01 -0.683430D+01
      2   0.286373D+01 -0.100197D+01  0.180180D+02 -0.166972D+00  0.886521D+01
      3   0.618625D+01 -0.102298D+02 -0.185667D+01 -0.749754D+00 -0.147126D+02
                96            97            98            99           100 
      1  -0.935480D+01 -0.530113D+00  0.259595D+01  0.367335D+01 -0.875105D+00
      2  -0.914399D+01  0.846551D+01 -0.696616D+01  0.184973D+01 -0.426079D+01
      3  -0.509688D+01 -0.859617D+00 -0.545139D+00  0.501844D+01  0.699058D+01
               101           102           103           104           105 
      1   0.197900D+01 -0.207684D+01  0.403376D+00  0.522772D-01 -0.145469D+01
      2  -0.343493D+00  0.540907D+01 -0.655628D+00 -0.643013D+00  0.112068D+01
      3  -0.665895D+01  0.103889D+01 -0.248250D+00 -0.782217D-01  0.487335D+00
               106           107           108           109           110 
      1  -0.923364D+00  0.340617D-01 -0.663807D+00 -0.747699D+00 -0.177481D+01
      2   0.909159D+00  0.131135D+01  0.230317D+01  0.432866D+01 -0.156735D+01
      3   0.310055D+00  0.413403D+00 -0.465420D+00 -0.233554D+01  0.241646D+01
               111           112           113           114           115 
      1   0.265829D+01 -0.735617D+00 -0.786081D+00 -0.212257D+01  0.661679D+00
      2  -0.626046D+01 -0.790194D+00  0.327457D+01  0.372163D+01 -0.579787D+01
      3   0.226520D+01  0.248796D+01 -0.164090D+01 -0.236560D+01  0.233384D+01
               116           117           118           119           120 
      1   0.220622D+01 -0.749565D+01  0.725398D+00  0.357926D+00  0.695837D-01
      2   0.525213D+01  0.205705D+02 -0.202626D+01 -0.609238D+00  0.546313D+00
      3  -0.449941D+01 -0.591111D+01  0.472558D+00 -0.108045D+01 -0.289271D+00
               121           122           123           124           125 
      1   0.997712D+00  0.210352D+01  0.547876D+00 -0.293513D+00  0.489448D+01
      2  -0.201174D+01 -0.545311D+00 -0.177251D+01 -0.459119D+01 -0.857704D+00
      3   0.184471D+01  0.436867D+00  0.863257D+00 -0.203939D+00  0.582184D+00
               126           127           128           129           130 
      1   0.296259D+01 -0.672616D+00  0.335637D+01  0.220674D+01  0.177762D+01
      2  -0.589929D+01 -0.137065D+01  0.412588D+00  0.352919D+00 -0.253904D+00
      3   0.130722D+01 -0.919772D+01  0.919291D+01  0.381498D+00  0.948627D+01
               131           132           133           134           135 
      1  -0.505374D+01 -0.498231D+01 -0.910854D-01 -0.215936D+01 -0.172657D+01
      2  -0.132459D+01  0.371366D+00 -0.736818D+00  0.135904D+01  0.553337D+00
      3  -0.174939D+02 -0.447464D+00  0.218431D+01 -0.396818D+01 -0.153716D+01
               136           137           138           139           140 
      1   0.321883D+01  0.139984D+01 -0.573338D+01  0.161655D+01  0.165534D+01
      2  -0.258452D+00 -0.149200D+01  0.463990D+01 -0.164633D+01 -0.197769D+01
      3   0.398144D+01 -0.208386D+01 -0.130944D+01  0.393444D+00 -0.293902D+01
               141           142           143           144           145 
      1  -0.267738D+01 -0.520491D+01 -0.620737D+00  0.934861D+01  0.171068D+01
      2   0.209607D+01 -0.340636D+00  0.255821D+01 -0.613491D+01 -0.306165D+01
      3   0.412332D+00 -0.423733D+01  0.157990D+01  0.133404D+01 -0.431941D+01
               146           147           148           149           150 
      1   0.930423D+00  0.324797D+01 -0.137872D+00 -0.129847D+01 -0.170448D+01
      2  -0.937750D+00  0.357565D+01  0.167767D+01  0.535981D+00 -0.297910D+00
      3  -0.287519D+01 -0.592861D+00  0.183523D+01  0.253536D+01  0.399816D-01
               151           152           153           154           155 
      1   0.121708D+01  0.845604D+00  0.409575D+01 -0.209405D+01 -0.469370D+01
      2  -0.260144D+01 -0.370706D+00  0.372341D+01  0.243609D+01  0.169331D+01
      3  -0.291625D+01 -0.333938D+00 -0.620472D+00  0.704215D+01  0.548746D+01
               156           157           158           159           160 
      1  -0.294724D+01 -0.318114D+01 -0.101594D+02 -0.542984D+01 -0.191651D+01
      2   0.209893D-01  0.149514D+01  0.275635D+01 -0.163340D+00 -0.937761D+00
      3   0.749776D+00  0.741645D+01  0.132001D+02  0.127246D+01  0.336271D+01
               161           162           163           164           165 
      1  -0.338090D+01 -0.384919D+01  0.613952D+01 -0.458722D+01 -0.447815D+01
      2   0.339467D+00 -0.172945D+00  0.121807D+02 -0.230387D+01 -0.537257D+01
      3   0.555116D+01  0.200083D+01  0.588757D+01 -0.902074D+00 -0.321855D+01
               166           167           168           169           170 
      1  -0.422818D+01  0.324699D+01  0.159141D+01 -0.488771D+01  0.392649D+01
      2  -0.565870D+01  0.229129D+01  0.326405D+01 -0.888871D+01  0.189630D+01
      3   0.214639D+00  0.741154D+00  0.110404D+01 -0.335792D+01  0.148495D+01
               171           172           173           174           175 
      1   0.659691D+01  0.514360D+00  0.504718D+00 -0.113950D+01  0.544352D-01
      2   0.815942D+01 -0.193043D+01 -0.450792D+01 -0.270828D+01 -0.275884D+01
      3   0.326024D+01  0.435268D+01  0.613632D+01  0.390231D+01  0.327049D+01
               176           177           178           179           180 
      1   0.227759D+01 -0.294287D+01  0.572740D+00  0.156817D+01 -0.254474D+01
      2  -0.962109D+01 -0.752385D+01 -0.116034D+01 -0.703822D+01 -0.800593D+01
      3   0.191425D+02  0.952640D+01  0.223494D+01  0.998351D+01  0.671978D+01
               181           182           183           184           185 
      1   0.446839D+01 -0.213458D+01  0.355853D+01 -0.240594D+01  0.129092D+01
      2   0.111038D+02 -0.497021D+01  0.936180D+01 -0.428221D+01  0.186033D+01
      3  -0.772633D+00 -0.573774D+01  0.850020D+00 -0.217282D+01  0.476921D+01
               186           187           188           189           190 
      1  -0.187259D+01  0.277968D+01 -0.230543D+00  0.274315D+01 -0.237866D+01
      2  -0.323685D+01  0.710514D+01 -0.302130D+01  0.744170D+01 -0.177246D+01
      3   0.419961D+00  0.133842D+01 -0.300807D+01  0.302869D+00 -0.396575D+01
               191           192           193           194           195 
      1  -0.229591D+01  0.262660D+01 -0.209820D+01 -0.614165D+01  0.350076D+01
      2  -0.234596D+01  0.509768D+01 -0.261063D+01 -0.514345D+01  0.745279D+01
      3  -0.393293D+01  0.448268D+01 -0.256601D+01 -0.921727D+01  0.685203D+01
               196           197           198           199           200 
      1   0.343495D+01  0.618224D+01 -0.583203D+01  0.107025D+00 -0.334215D+00
      2   0.367749D+01  0.390711D+01 -0.126389D+02  0.241455D+00  0.255508D+00
      3   0.452089D+01  0.834089D+01 -0.665203D+01  0.794041D+00  0.658891D+00
               201           202           203           204           205 
      1   0.434842D+00 -0.439314D+01 -0.524495D+00 -0.236771D+01  0.160547D+01
      2  -0.239237D+00 -0.152273D+01 -0.141019D+01 -0.757851D+00 -0.317360D+01
      3   0.699840D+00  0.277286D+01  0.442103D-01  0.549682D-01  0.205359D+01
               206           207           208           209           210 
      1   0.207802D+01 -0.336342D+01  0.934743D+00 -0.379097D+00 -0.293727D-01
      2   0.176315D+00 -0.239410D+01  0.983368D+00  0.150727D-01  0.743527D+00
      3   0.838728D+00 -0.633706D-01 -0.152767D+01 -0.644715D+00 -0.493081D+00
               211           212           213           214           215 
      1  -0.213055D+01  0.142918D+01 -0.163598D+00  0.821015D+00  0.423070D+01
      2  -0.297749D+00  0.285704D+01  0.439429D+01 -0.383228D+01  0.372752D+01
      3   0.330554D+01 -0.198123D+01 -0.279815D+01 -0.445019D+00 -0.339841D+01
               216           217           218           219           220 
      1  -0.190464D+00 -0.176559D-01  0.243765D+01  0.376686D+00 -0.382353D+00
      2   0.121058D+02 -0.142148D+01 -0.240413D+01 -0.308982D+01 -0.753703D+00
      3  -0.435280D+01  0.232864D+01  0.413100D+01  0.131938D+01  0.218797D+01
               221           222           223           224           225 
      1   0.118792D+02  0.108637D+01  0.157496D+01  0.858106D+00  0.386764D+00
      2  -0.700347D+01 -0.523754D+01 -0.868006D+00 -0.225302D+01 -0.327889D+01
      3   0.245683D+02  0.569013D+01  0.160258D+01  0.135523D+01  0.228199D+01
               226           227           228           229           230 
      1  -0.868817D+00  0.262161D+01 -0.356372D+01  0.124532D+00 -0.314507D+01
      2  -0.680968D+01  0.339265D+01 -0.115583D+02  0.303749D+01 -0.741310D+01
      3  -0.251049D+01  0.268398D+01 -0.138935D+01  0.178908D+01 -0.321015D+01
               231           232           233           234           235 
      1   0.404536D+01 -0.220712D+01  0.421099D+01 -0.530199D+01 -0.122140D+01
      2   0.102049D+02 -0.725939D+01  0.578207D+01 -0.189308D+02  0.172070D+01
      3   0.557720D+01 -0.114122D+01  0.422972D+01 -0.423502D+01 -0.368239D+01
               236           237           238           239           240 
      1  -0.213354D+01  0.792963D+00 -0.609055D+00  0.944249D-01 -0.159116D+00
      2   0.334964D+00  0.629659D+01 -0.410770D+00 -0.106881D+01  0.190025D+01
      3  -0.631192D+01  0.104614D+01 -0.207397D+01  0.340463D+00  0.138987D+01
               241           242           243 
      1   0.602299D+00  0.138255D+01 -0.757971D+00
      2  -0.453063D+00  0.982676D+00 -0.202217D+01
      3   0.148580D+01  0.141541D+01 -0.141982D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.846464D+01  0.504856D+01 -0.657294D+01  0.991336D+00  0.669183D+01
      2   0.220909D+01 -0.184672D+02 -0.505713D+01 -0.132180D+02 -0.168593D+02
      3  -0.106737D+02  0.134186D+02  0.116301D+02  0.122267D+02  0.101675D+02
      4   0.109169D+02 -0.424679D+01  0.214977D+02 -0.196207D+01  0.613470D+01
      5  -0.176019D+02  0.174688D+02 -0.129276D+02  0.168125D+02  0.367316D+01
      6   0.127498D+02 -0.116994D+02  0.113257D+02 -0.796563D+01 -0.358359D+01
                 6             7             8             9            10 
      1   0.190569D+02 -0.605926D+01  0.194239D+02 -0.148780D+01 -0.121713D+01
      2  -0.126200D+02 -0.709677D+01 -0.156057D+02  0.662480D+01  0.610937D+01
      3  -0.643682D+01  0.131560D+02 -0.381815D+01 -0.513700D+01 -0.489224D+01
      4  -0.612445D+01  0.224946D+02 -0.872132D+01  0.439346D+01 -0.141321D+02
      5   0.680366D+01 -0.126597D+02  0.926146D+01 -0.812510D+01  0.110365D+02
      6   0.427258D+01  0.102512D+02  0.301389D+01  0.121072D+01 -0.114796D+02
                11            12            13            14            15 
      1  -0.252066D+01  0.761306D+01 -0.536541D+01 -0.100468D+02 -0.193769D+02
      2   0.470779D+01 -0.288786D+00  0.356961D+01  0.125756D+02  0.663184D+01
      3  -0.218714D+01 -0.732427D+01  0.179581D+01 -0.252882D+01  0.127451D+02
      4   0.577868D+00 -0.190325D+02  0.344653D+01 -0.253119D+02 -0.532008D+01
      5  -0.156016D+02 -0.269432D+01 -0.171356D+02 -0.146608D+02  0.901945D+00
      6   0.793926D+01 -0.371503D+01 -0.189112D+01 -0.168446D+01 -0.617091D+01
                16            17            18            19            20 
      1   0.684681D+01 -0.183947D+02 -0.331148D+01  0.424184D+02  0.989575D+01
      2   0.600970D+01  0.961842D+01 -0.277214D+01 -0.396143D+02 -0.137126D+02
      3  -0.128565D+02  0.877628D+01  0.608362D+01 -0.280418D+01  0.381687D+01
      4  -0.277820D+02 -0.484965D+00 -0.706017D+00  0.801436D+01 -0.864112D+01
      5  -0.468948D+01  0.549394D+00  0.250098D+01  0.168891D+02  0.487901D+01
      6  -0.462236D+01 -0.311393D+01  0.118694D+01  0.103404D+02 -0.327839D+00
                21            22            23            24            25 
      1   0.420461D+01  0.182809D+02  0.636185D+01  0.689713D+01 -0.149353D-02
      2  -0.348023D+01 -0.175244D+02 -0.110005D+02  0.266229D+01 -0.467487D+01
      3  -0.724379D+00 -0.756422D+00  0.463862D+01 -0.955943D+01  0.467636D+01
      4   0.548943D+01 -0.285041D+02 -0.442609D+01 -0.281764D+01  0.135289D+02
      5   0.481527D+01  0.497453D+01  0.526630D+01  0.401471D+01  0.351791D+01
      6   0.298599D+01  0.724409D+01  0.621256D+01  0.769215D+00  0.276663D+01
                26            27            28            29            30 
      1   0.883680D+01  0.142565D+02 -0.122766D+03 -0.123326D+02 -0.566712D+01
      2  -0.142394D+01  0.590832D+01  0.833941D+02  0.762349D+01  0.576546D+01
      3  -0.741285D+01 -0.201648D+02  0.393718D+02  0.470908D+01 -0.983398D-01
      4  -0.460958D+01  0.831318D+01 -0.136270D+02 -0.104846D+02  0.302976D+00
      5   0.501428D+01  0.567019D+01 -0.373984D+02 -0.194236D+01 -0.124491D+02
      6  -0.577423D+00 -0.208859D+01 -0.173691D+02 -0.562477D+01  0.914207D-01
                31            32            33            34            35 
      1  -0.350770D+02 -0.252187D+02  0.341842D+01 -0.299641D+02  0.180811D+00
      2   0.257220D+02  0.221670D+02 -0.289209D+01  0.176303D+02 -0.239834D+01
      3   0.935498D+01  0.305172D+01 -0.526324D+00  0.123338D+02  0.221753D+01
      4  -0.949270D+01 -0.100504D+02  0.140394D+01 -0.655853D+01  0.173445D+01
      5  -0.914803D+01 -0.475834D+01 -0.749345D-01 -0.109005D+02  0.194031D+01
      6  -0.565395D+01 -0.857999D+01  0.449301D+01 -0.155361D+01  0.108111D+01
                36            37            38            39            40 
      1  -0.111535D+02  0.176766D+03  0.288160D+02  0.189263D+02  0.316469D+02
      2   0.135701D+01 -0.108376D+03 -0.174498D+02 -0.125062D+02 -0.162259D+02
      3   0.979650D+01 -0.683900D+02 -0.113662D+02 -0.642010D+01 -0.154210D+02
      4   0.105701D+01  0.322511D+02  0.175844D+02 -0.503985D-01  0.308043D+02
      5   0.145985D+01  0.559757D+02  0.405104D+01  0.128928D+02  0.410099D+01
      6  -0.490532D+01  0.195380D+02  0.533731D+01 -0.111244D+00  0.991285D+01
                41            42            43            44            45 
      1   0.511372D+01  0.929614D+01  0.815363D+01  0.877870D+01  0.129630D+02
      2   0.197474D+01  0.201420D+01 -0.106692D+02 -0.317740D+01 -0.195891D+01
      3  -0.708846D+01 -0.113103D+02  0.251558D+01 -0.560130D+01 -0.110041D+02
      4   0.708163D+01  0.310000D+01 -0.726670D+01 -0.292238D+01 -0.947824D+01
      5   0.319393D+01 -0.116276D+02  0.158169D+02 -0.845473D+01 -0.115066D+02
      6   0.101368D+01  0.401355D+01 -0.278741D+00  0.147109D+01 -0.902884D+01
                46            47            48            49            50 
      1  -0.166094D+03 -0.302979D+02 -0.343309D+02 -0.510888D+02 -0.165314D+02
      2   0.920580D+02  0.142566D+02  0.189023D+02  0.267735D+02  0.114240D+02
      3   0.740356D+02  0.160413D+02  0.154286D+02  0.243153D+02  0.510743D+01
      4  -0.517249D+02 -0.254378D+02 -0.109277D+02 -0.995911D+01 -0.946054D+01
      5  -0.710041D+02 -0.148306D+02 -0.276493D+02 -0.255166D+02 -0.334433D+01
      6  -0.190584D+02 -0.269930D+01 -0.587561D+01  0.231259D+00 -0.557100D+01
                51            52            53            54            55 
      1  -0.103592D+02 -0.410152D+02 -0.110409D+02 -0.155950D+02  0.179754D+03
      2   0.912440D+01  0.142013D+02  0.318716D+00  0.129604D+02 -0.945083D+02
      3   0.123485D+01  0.268138D+02  0.107222D+02  0.263455D+01 -0.852459D+02
      4  -0.173990D+01 -0.198400D+02  0.819994D+00  0.400128D+01  0.455740D+02
      5   0.297355D+01 -0.208089D+02  0.487528D+01  0.148019D+02  0.674648D+02
      6   0.209934D+01  0.357336D+01 -0.456915D+01 -0.440462D+01  0.103608D+02
                56            57            58            59            60 
      1   0.301165D+02  0.359156D+02  0.559890D+02  0.282972D+02  0.449771D+01
      2  -0.117455D+02 -0.235368D+02 -0.243254D+02 -0.639988D+01 -0.746303D+00
      3  -0.183709D+02 -0.123788D+02 -0.316636D+02 -0.218973D+02 -0.375141D+01
      4   0.326252D+02  0.107076D+02  0.535078D+02  0.341586D+02  0.171662D+02
      5   0.128121D+02  0.396545D+02  0.190387D+02  0.188652D+02  0.933618D+01
      6   0.615278D+01  0.499752D+01  0.102954D+02  0.869371D+01  0.997704D+01
                61            62            63            64            65 
      1   0.853680D+02  0.110553D+02  0.264258D+02 -0.285601D+02  0.155676D+02
      2  -0.517787D+02 -0.472045D+01 -0.246501D+02  0.880510D+01 -0.510141D+01
      3  -0.335893D+02 -0.633487D+01 -0.177571D+01  0.197550D+02 -0.104662D+02
      4   0.218997D+02  0.131976D+02  0.113518D+02  0.171485D+02 -0.143438D+01
      5   0.635473D+02  0.133594D+02  0.402413D+02 -0.182037D+02  0.231061D+02
      6   0.992376D+01  0.100256D+02  0.563236D+01  0.101014D+02 -0.105509D+02
                66            67            68            69            70 
      1  -0.144160D+02  0.943380D+01  0.981514D+01  0.322139D+02 -0.228443D+02
      2  -0.101157D+01  0.105933D+01 -0.641183D+01 -0.242613D+02  0.971600D+00
      3   0.154276D+02 -0.104931D+02 -0.340332D+01 -0.795260D+01  0.218727D+02
      4   0.276763D+02 -0.567420D+01  0.104155D+02  0.104611D+02  0.329075D+02
      5  -0.480410D+00  0.236791D+02  0.151586D+02 -0.117816D+02 -0.402047D+01
      6  -0.449568D+01 -0.696027D+01 -0.116460D+02 -0.607068D+01 -0.279563D+01
                71            72            73            74            75 
      1   0.331287D+02 -0.533236D+01 -0.461886D+02 -0.166341D+02 -0.135182D+02
      2  -0.248737D+02  0.562158D+01  0.195983D+02  0.752681D+01 -0.169699D+01
      3  -0.825502D+01 -0.289222D+00  0.265904D+02  0.910728D+01  0.152151D+02
      4   0.808857D+01 -0.432926D+01 -0.226433D+02 -0.282865D+00 -0.320220D+01
      5  -0.829105D+01  0.978372D+01 -0.162859D+02 -0.362843D+01  0.856064D+01
      6  -0.681456D+01  0.399312D-02 -0.320972D+01 -0.267255D+01  0.784266D+01
                76            77            78            79            80 
      1  -0.144745D+02  0.705753D+01 -0.312374D+01 -0.414693D+01 -0.141532D+01
      2   0.108765D+02 -0.356048D+00  0.105720D+02 -0.476292D+01  0.725171D+01
      3   0.359803D+01 -0.670148D+01 -0.744831D+01  0.890984D+01 -0.583640D+01
      4   0.819997D+01  0.267556D+02  0.100156D+02 -0.196923D+00  0.250378D+01
      5  -0.577651D+01  0.165520D+02 -0.818996D+01  0.114935D+02 -0.817408D+01
      6   0.392107D+01  0.951509D+01 -0.108388D+01  0.609297D+01 -0.344532D+01
                81            82            83            84            85 
      1   0.211155D+02 -0.788386D+01 -0.119387D+02 -0.791091D+01 -0.135063D+02
      2  -0.430008D+01  0.132503D+02  0.280544D+02  0.973554D+01  0.248861D+02
      3  -0.168154D+02 -0.536648D+01 -0.161157D+02 -0.182464D+01 -0.113798D+02
      4  -0.423307D+01  0.567234D+01  0.878950D+01  0.875079D+01  0.189061D+02
      5  -0.826155D+01  0.109651D+01  0.865608D+01 -0.158930D+02  0.703834D+01
      6  -0.954497D+01  0.896239D+00  0.844727D+01 -0.145999D+02  0.194637D+01
                86            87            88            89            90 
      1   0.119895D+02  0.613300D+01 -0.240197D+02  0.733254D+01 -0.110466D+02
      2  -0.130268D+02 -0.534603D+01  0.238346D+02 -0.541513D+01  0.807255D+01
      3   0.103733D+01 -0.786970D+00  0.185045D+00 -0.191741D+01  0.297406D+01
      4   0.106661D+02  0.540474D+01  0.150575D+02  0.112446D+02 -0.101275D+02
      5  -0.212369D+01 -0.456714D+00 -0.233217D+02 -0.637076D+01  0.570420D+01
      6  -0.401299D+01 -0.172460D+01 -0.181421D+02 -0.344467D+01  0.609044D+01
                91            92            93            94            95 
      1  -0.558692D+02 -0.328917D+01  0.328679D+02 -0.115960D+02  0.227297D+02
      2   0.343440D+02 -0.374125D+01 -0.949603D+01  0.381736D+01 -0.177462D+02
      3   0.215252D+02  0.703043D+01 -0.233719D+02  0.777860D+01 -0.498349D+01
      4  -0.225293D+01  0.157342D+02  0.922318D+00  0.994620D+01  0.227088D+02
      5   0.298255D+02  0.261379D+01  0.106256D+02  0.589264D+01  0.370926D+01
      6   0.207818D+01 -0.708176D+01  0.137441D+01 -0.452944D+01 -0.102814D+02
                96            97            98            99           100 
      1  -0.265521D+01  0.172323D+02 -0.498292D+01  0.141552D+02  0.798434D+02
      2  -0.104270D+02 -0.259590D+01 -0.301505D+01 -0.845072D+01 -0.385510D+02
      3   0.130823D+02 -0.146364D+02  0.799798D+01 -0.570447D+01 -0.412925D+02
      4   0.632880D+01  0.243963D+01  0.179531D+01 -0.125834D+02  0.349626D+02
      5  -0.114475D+02  0.138615D+02 -0.109936D+02 -0.114873D+02  0.247944D+02
      6  -0.374417D+01 -0.117086D+01  0.239822D+01  0.110504D+02  0.754393D+01
               101           102           103           104           105 
      1   0.148209D+02  0.130559D+02  0.676329D+01  0.705577D+01  0.107524D+01
      2  -0.354630D+01 -0.813560D+01 -0.893864D-01  0.483656D+00 -0.112553D+01
      3  -0.112746D+02 -0.492026D+01 -0.667390D+01 -0.753943D+01  0.502846D-01
      4   0.209050D+02  0.757934D+01  0.157116D+02  0.761861D+01  0.265205D+01
      5   0.637634D+01  0.150950D+02  0.325590D+01  0.208215D+01  0.243137D+01
      6   0.452848D+01  0.441761D+01  0.315081D+01  0.611476D+00  0.294306D+01
               106           107           108           109           110 
      1   0.334977D+01  0.858118D+00  0.481670D+01  0.591813D+00  0.567064D+01
      2  -0.286023D+01 -0.221786D+01 -0.453138D+01 -0.223335D+01 -0.338467D+01
      3  -0.489542D+00  0.135975D+01 -0.285319D+00  0.164153D+01 -0.228597D+01
      4   0.244035D+01  0.222646D+00  0.517646D+01  0.197877D+01 -0.196114D+01
      5   0.113441D+02  0.425453D+01  0.660178D+01  0.270389D+01 -0.239254D-01
      6   0.313797D+01  0.273934D+01  0.332859D+01  0.348282D+01 -0.339973D+01
               111           112           113           114           115 
      1   0.102801D+02  0.275260D+01 -0.721532D+01 -0.455261D+01  0.789759D+01
      2   0.107924D+00 -0.190098D+01  0.334388D+01  0.175696D+01 -0.364767D+01
      3  -0.103880D+02 -0.851622D+00  0.387144D+01  0.279565D+01 -0.424992D+01
      4   0.107618D+01  0.187462D+01  0.190233D+01  0.367651D+01  0.379400D+01
      5  -0.386615D+01  0.164821D+01  0.252366D+01  0.552043D+01  0.513699D+01
      6  -0.600394D+01 -0.766031D+00  0.579118D+01  0.104229D+02  0.558308D+00
               116           117           118           119           120 
      1  -0.736246D+01 -0.229713D+02  0.579679D+00 -0.249779D+00 -0.212713D+01
      2   0.158532D+01 -0.883471D+01 -0.402226D+01 -0.544932D-01 -0.115886D+00
      3   0.577714D+01  0.318060D+02  0.344258D+01  0.304272D+00  0.224301D+01
      4   0.839895D+01  0.771411D+01 -0.126657D+01  0.260748D+01  0.378449D+00
      5   0.892315D+01  0.285622D+02 -0.529093D+00  0.134913D+01  0.635860D+01
      6   0.115848D+02  0.215879D+02  0.136972D+01  0.237463D+00 -0.412796D-01
               121           122           123           124           125 
      1   0.911787D+00 -0.644454D+01 -0.539365D+01 -0.126809D+01 -0.252702D+01
      2  -0.608523D+00  0.203089D+01 -0.220499D+01  0.131253D+01 -0.254822D+01
      3  -0.303264D+00  0.441366D+01  0.759864D+01 -0.444388D-01  0.507523D+01
      4   0.220165D+01 -0.248620D+01 -0.215521D+01  0.769140D-01 -0.311538D+01
      5   0.209497D+01 -0.233221D+01 -0.323863D+01  0.572788D+01 -0.232718D+01
      6  -0.139094D+00  0.238445D+01  0.672493D+01 -0.560861D+00  0.604813D+01
               126           127           128           129           130 
      1  -0.236110D+02 -0.738863D+01  0.190271D+02  0.674293D+00  0.105629D+02
      2  -0.122979D+02  0.967417D+01 -0.271559D+02 -0.140072D+01 -0.134822D+02
      3   0.359089D+02 -0.228554D+01  0.812882D+01  0.726429D+00  0.291922D+01
      4  -0.397232D+01 -0.503283D+01  0.223356D+01 -0.686497D+00  0.632957D+01
      5  -0.118101D+02  0.544966D+00 -0.894203D+00  0.148067D+01 -0.942652D+00
      6   0.212185D+01  0.186367D+00  0.268461D+00 -0.234768D+01  0.238580D+00
               131           132           133           134           135 
      1  -0.345467D+02 -0.361459D+00  0.379268D+01 -0.624686D+01 -0.406949D+01
      2   0.535616D+02  0.150102D+01 -0.343736D+01  0.964141D+01  0.485857D+01
      3  -0.190149D+02 -0.113956D+01 -0.355312D+00 -0.339455D+01 -0.789073D+00
      4   0.845243D+01 -0.402747D+00  0.387512D+00  0.141300D+01  0.209327D+01
      5   0.262344D+00  0.246003D+01  0.354860D+01  0.255081D+01  0.111634D-01
      6  -0.910777D+00  0.758232D+01  0.686070D+00  0.818568D+01  0.163870D+01
               136           137           138           139           140 
      1   0.114146D+02  0.104081D+01 -0.210712D+01  0.325400D+01 -0.535106D+01
      2  -0.489403D+01  0.211072D+01  0.733952D+00 -0.741378D+00  0.936485D+01
      3  -0.652057D+01 -0.315152D+01  0.137317D+01 -0.251262D+01 -0.401379D+01
      4   0.166418D+02  0.138955D+02 -0.110864D+02  0.999937D+01  0.111829D+02
      5  -0.164760D+02 -0.950783D+01  0.173976D+02 -0.542152D+01 -0.854255D+01
      6  -0.100418D+02 -0.892363D+01  0.120093D+02 -0.632973D+01 -0.989136D+01
               141           142           143           144           145 
      1   0.263224D+01 -0.203614D+00  0.632841D+01 -0.599574D+01  0.149958D+02
      2  -0.399238D+01 -0.788445D+00 -0.730971D+01 -0.240457D+01 -0.102628D+02
      3   0.136013D+01  0.992059D+00  0.981299D+00  0.840031D+01 -0.473299D+01
      4  -0.882136D+01 -0.164669D+02 -0.152848D+02  0.148983D+02 -0.239376D+02
      5   0.762479D+01  0.202295D+02  0.135890D+02 -0.246943D+02  0.260511D+02
      6   0.955861D+01  0.148537D+02  0.163578D+02 -0.223105D+02 -0.128862D+02
               146           147           148           149           150 
      1  -0.880068D+00  0.179021D+01 -0.951394D+00 -0.337902D+01  0.180210D+01
      2  -0.152336D+01 -0.620658D+01 -0.610492D+00  0.713034D+01 -0.117515D+01
      3   0.240343D+01  0.441637D+01  0.156189D+01 -0.375132D+01 -0.626942D+00
      4   0.186797D+02 -0.160334D+02  0.129536D+02 -0.135023D+02  0.972735D+01
      5  -0.137681D+02  0.235715D+02 -0.872973D+01  0.868103D+01 -0.831834D+01
      6   0.127371D+02 -0.141968D+02  0.851651D+01 -0.103767D+02  0.998625D+01
               151           152           153           154           155 
      1   0.385030D+01  0.206097D+01 -0.342157D+01 -0.614722D+01 -0.108546D+02
      2  -0.588413D+01 -0.177380D+00 -0.748205D+01  0.751086D+01  0.166131D+02
      3   0.203383D+01 -0.188359D+01  0.109036D+02 -0.136363D+01 -0.575854D+01
      4  -0.136508D+02  0.105126D+02 -0.128938D+02  0.217086D+01  0.273084D+01
      5   0.194336D+02 -0.111614D+02  0.218716D+02 -0.112617D+01 -0.430661D+01
      6  -0.107803D+02  0.113896D+02 -0.157186D+02 -0.138669D+01 -0.184337D+01
               156           157           158           159           160 
      1   0.985112D+00 -0.670841D+01 -0.244373D+02 -0.105268D+01 -0.227110D+01
      2   0.223430D+01  0.100769D+02  0.405999D+02  0.532240D+01  0.362426D+01
      3  -0.321942D+01 -0.336849D+01 -0.161626D+02 -0.426971D+01 -0.135316D+01
      4  -0.119510D+01  0.509888D+01 -0.910102D+01  0.760359D+00  0.401815D+00
      5   0.647852D+00 -0.454200D+01 -0.467439D+01 -0.402427D+01  0.615882D+00
      6   0.210470D+01 -0.341190D+00 -0.615332D+01  0.640060D+01  0.331021D+00
               161           162           163           164           165 
      1  -0.917809D+01 -0.318719D+01 -0.674185D+01 -0.264487D+01  0.109635D+02
      2   0.148848D+02  0.429128D+01 -0.452313D+01  0.608708D+01  0.441512D+01
      3  -0.570668D+01 -0.110408D+01  0.112650D+02 -0.344222D+01 -0.153786D+02
      4  -0.359571D+01 -0.929089D+00  0.648539D+01 -0.144717D+01 -0.547181D+01
      5  -0.325995D+01 -0.209563D+01 -0.424400D+01 -0.812376D+00  0.271851D+01
      6   0.357737D+01  0.389508D+01 -0.206361D+01 -0.272621D+01  0.414711D+01
               166           167           168           169           170 
      1   0.179923D+01 -0.263898D+01 -0.659592D+01  0.823767D+01 -0.191110D+01
      2   0.352932D+01  0.544480D-01 -0.207203D+01  0.419587D+01 -0.205828D+01
      3  -0.532856D+01  0.258453D+01  0.866795D+01 -0.124335D+02  0.396939D+01
      4  -0.245790D+01  0.282433D+01  0.167861D+01 -0.717797D+01  0.258271D+01
      5   0.264094D+00 -0.872377D+00  0.205123D+01  0.562444D+01 -0.143197D+01
      6  -0.194402D+01  0.315790D+01  0.905665D+00  0.135687D+01  0.413889D+01
               171           172           173           174           175 
      1  -0.149818D+02 -0.301998D+01 -0.121162D+02 -0.532129D+01 -0.971637D+01
      2  -0.871638D+01  0.302767D+01  0.100434D+02  0.278480D+01  0.393895D+01
      3   0.236982D+02 -0.768626D-02  0.207279D+01  0.253649D+01  0.577741D+01
      4   0.417537D+01 -0.757083D+00 -0.411356D+01 -0.425848D+01  0.811519D+01
      5   0.221927D+01  0.206800D+01 -0.352472D+01 -0.282564D+01  0.242956D+01
      6  -0.623105D+01  0.150434D+01  0.666004D+01  0.537214D+01 -0.559205D+00
               176           177           178           179           180 
      1  -0.217476D+02 -0.132746D+02 -0.294296D+01 -0.138609D+02 -0.991702D+01
      2   0.258598D+02  0.930486D+01  0.224107D+01  0.997629D+01  0.301989D+01
      3  -0.411223D+01  0.396973D+01  0.701890D+00  0.388457D+01  0.689713D+01
      4  -0.284616D+02 -0.132511D+02  0.510335D+00 -0.133542D+02 -0.909758D+01
      5  -0.133319D+02 -0.108942D+02  0.470082D+01 -0.912929D+01 -0.131119D+02
      6   0.200514D+02  0.149973D+02 -0.141000D+00  0.143544D+02  0.128295D+02
               181           182           183           184           185 
      1   0.685213D+02 -0.178224D+02  0.128915D+02 -0.163455D+02  0.828961D+01
      2  -0.277062D+02  0.286504D+01 -0.346042D+01  0.179003D+01  0.156547D+01
      3  -0.408151D+02  0.149574D+02 -0.943105D+01  0.145555D+02 -0.985508D+01
      4  -0.357170D+02  0.206692D+02 -0.820267D+01  0.214971D+02 -0.166657D+02
      5   0.783744D+01 -0.396282D+01  0.129174D+02 -0.361411D+01  0.115947D+01
      6  -0.326898D+01  0.133469D+01 -0.387543D+01  0.127773D+01  0.198879D+00
               186           187           188           189           190 
      1  -0.524466D+01  0.306511D+02 -0.955713D+01  0.106281D+02  0.184601D+02
      2   0.143132D+01 -0.108187D+02  0.181620D+01 -0.501835D+01 -0.128137D+02
      3   0.381335D+01 -0.198324D+02  0.774093D+01 -0.560971D+01 -0.564643D+01
      4   0.361305D+01 -0.198419D+02  0.118241D+02 -0.688569D+01  0.207825D+01
      5  -0.320312D+01  0.128620D+02 -0.416471D+01  0.116305D+02 -0.133741D+02
      6   0.379321D+01 -0.432687D+01  0.354355D+01 -0.475857D+01 -0.124689D+01
               191           192           193           194           195 
      1   0.430968D+01 -0.849110D+01  0.143926D+02  0.288428D+01 -0.880885D+01
      2  -0.460976D+01  0.986370D+01 -0.113905D+02 -0.448107D+01  0.123770D+02
      3   0.300085D+00 -0.137261D+01 -0.300206D+01  0.159679D+01 -0.356817D+01
      4   0.603692D+01 -0.560640D+01  0.545658D+01  0.134088D+02 -0.891210D+01
      5  -0.788494D+01  0.149686D+02 -0.150428D+02 -0.106442D+02  0.180677D+02
      6  -0.331509D+00  0.968511D-01 -0.238078D+00 -0.365369D+01  0.283354D+01
               196           197           198           199           200 
      1  -0.119059D+02 -0.617127D+01  0.730751D+01 -0.144342D+00 -0.161614D+01
      2   0.136184D+02  0.951684D+01 -0.182384D+02  0.153488D+01  0.144650D+01
      3  -0.171247D+01 -0.334558D+01  0.109309D+02 -0.139054D+01  0.169640D+00
      4  -0.509322D+01 -0.108063D+02  0.682051D+01 -0.847302D+00  0.116335D+01
      5   0.211783D+02  0.101662D+02 -0.313898D+02 -0.332653D+01  0.949704D+00
      6  -0.537890D+00  0.502636D+01  0.719083D+00  0.558528D+00  0.565072D-01
               201           202           203           204           205 
      1  -0.204844D+01 -0.240731D+01 -0.920427D+00 -0.454646D+01 -0.391885D+01
      2   0.170804D+01 -0.122882D+01  0.122039D+01  0.238153D+01  0.308417D+01
      3   0.340402D+00  0.363613D+01 -0.299962D+00  0.216493D+01  0.834683D+00
      4   0.174385D+01  0.924546D+00 -0.100427D+01 -0.222622D+01  0.238021D+01
      5   0.349030D+01  0.574436D+00 -0.704727D+00 -0.205680D+01  0.371358D+01
      6  -0.237709D+00 -0.768799D+00  0.344091D+01  0.309040D+01 -0.476012D-01
               206           207           208           209           210 
      1  -0.522441D+01 -0.788987D+01  0.334730D+00  0.115843D+01  0.269217D+01
      2   0.420450D+01  0.135480D+01 -0.220394D+01 -0.615130D+00 -0.762101D+00
      3   0.101991D+01  0.653506D+01  0.186921D+01 -0.543300D+00 -0.193007D+01
      4  -0.215789D+01 -0.391852D+01  0.161302D+01  0.188069D+01  0.186177D+01
      5  -0.321895D+01 -0.688608D+01  0.297095D+01  0.218146D+01  0.622656D+01
      6   0.438171D+01  0.651772D+01  0.204918D+01 -0.456739D-01  0.589928D+00
               211           212           213           214           215 
      1   0.245663D+01 -0.631738D+01 -0.801745D+01  0.353720D+01 -0.760748D+01
      2  -0.339594D+01  0.170439D+01 -0.366148D+00 -0.292348D+01  0.111254D+01
      3   0.939309D+00  0.461299D+01  0.838360D+01 -0.613717D+00  0.649493D+01
      4  -0.351204D+00  0.344871D+01  0.397500D+01  0.240927D+01  0.449198D+01
      5   0.323443D+01  0.483576D+01  0.847422D+01  0.509044D+01  0.651133D+01
      6  -0.644263D+00  0.534537D+01  0.661825D+01  0.154407D+01  0.816572D+01
               216           217           218           219           220 
      1  -0.237092D+02  0.268485D+01 -0.799157D+01 -0.586699D+01 -0.108648D+02
      2  -0.649569D+01  0.111316D+00  0.646490D+01  0.154141D+01  0.553204D+01
      3   0.302049D+02 -0.279616D+01  0.152668D+01  0.432558D+01  0.533281D+01
      4   0.538354D+01 -0.259128D+01 -0.358789D+01 -0.137182D+01  0.642095D+01
      5   0.220849D+02 -0.829265D+00  0.195415D+00 -0.415868D+01  0.762996D+01
      6   0.924853D+01  0.180496D+01  0.378861D+01  0.177022D+01 -0.135295D+01
               221           222           223           224           225 
      1  -0.202770D+02 -0.400842D+01 -0.402965D+01 -0.283772D+01 -0.667953D+01
      2   0.272372D+02  0.239145D+01  0.195584D+01  0.102339D+00  0.213040D+01
      3  -0.696024D+01  0.161697D+01  0.207381D+01  0.273538D+01  0.454913D+01
      4  -0.426754D+02 -0.106133D+02 -0.111967D+01 -0.276189D+01 -0.362150D+01
      5  -0.820870D+01 -0.117605D+02  0.983536D+00 -0.345070D+01 -0.369874D+01
      6   0.194066D+02  0.100374D+02  0.801506D-01  0.656131D+01  0.248460D+01
               226           227           228           229           230 
      1  -0.534371D+01  0.621659D+01 -0.158433D+02  0.837502D+01 -0.112563D+02
      2  -0.592392D+00 -0.114106D+01 -0.365407D+00 -0.393695D+01  0.423367D+01
      3   0.593610D+01 -0.507553D+01  0.162087D+02 -0.443808D+01  0.702265D+01
      4   0.378981D+01 -0.575045D+01  0.135681D+01 -0.143655D+01  0.474694D+01
      5  -0.215142D+00 -0.148091D+00 -0.958627D+01 -0.313242D+01 -0.645802D+01
      6  -0.261890D+01  0.452242D+01 -0.264471D+01  0.193086D+01 -0.550260D+01
               231           232           233           234           235 
      1   0.889428D+01 -0.162870D+02  0.715645D+01 -0.219818D+02  0.816117D+02
      2   0.342219D+01  0.563036D+01  0.139721D+01 -0.727683D+01 -0.458644D+02
      3  -0.123165D+02  0.106566D+02 -0.855365D+01  0.292587D+02 -0.357473D+02
      4  -0.812835D+01  0.345792D+01 -0.853800D+01  0.696905D+01 -0.763065D+01
      5   0.127652D+02  0.249339D+01  0.561884D+01 -0.225412D+02 -0.434926D+02
      6   0.877513D+01 -0.175149D+01  0.692144D+01 -0.608063D+01  0.650692D-01
               236           237           238           239           240 
      1  -0.983448D+00 -0.217699D+02  0.573371D+01  0.592144D+01 -0.144153D+01
      2  -0.309595D+00  0.162934D+02 -0.337648D+01 -0.200822D+01  0.212830D+01
      3   0.129304D+01  0.547652D+01 -0.235723D+01 -0.391322D+01 -0.686772D+00
      4   0.124560D+02  0.212645D+01  0.102513D+02 -0.122343D+01 -0.429922D+01
      5   0.542268D+00  0.253555D+02 -0.366631D+01 -0.530656D+01  0.364910D+01
      6  -0.408372D+01 -0.980503D+00 -0.342999D+01  0.369278D+00  0.274658D+01
               241           242           243 
      1  -0.114734D+02  0.281163D+00  0.850960D+01
      2   0.101938D+02  0.618545D+00 -0.893587D+01
      3   0.127968D+01 -0.899708D+00  0.426278D+00
      4   0.808618D+00 -0.247793D+01  0.428739D+00
      5   0.172887D+02  0.951720D+00 -0.123836D+02
      6  -0.130960D+01  0.218059D+01 -0.130187D+00
 Leave Link  716 at Mon Aug 16 22:34:49 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171808D+03  0.713723D+01  0.515176D+01
      2   0.713723D+01  0.111182D+03  0.434458D+01
      3   0.515176D+01  0.434458D+01  0.114247D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.927040D+01  0.952258D+01 -0.292246D+01
      2   0.126650D+02 -0.121050D+02  0.157837D+02
      3   0.302323D+02 -0.447374D+02  0.200682D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.678223D+02 -0.450542D+02 -0.252603D+02
      2   0.587179D+02  0.397343D+02 -0.390045D+01
      3   0.910440D+01  0.531987D+01  0.291607D+02
      4  -0.438913D+02  0.100499D+03 -0.412468D+02
      5  -0.211835D+02 -0.465399D+02  0.239060D+02
      6  -0.235491D+02  0.144478D+02 -0.107868D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.219641D+01  0.147315D+01 -0.418488D+01  0.841121D+00  0.922597D+00
      2   0.147315D+01  0.940938D+00  0.362496D+01  0.922597D+00  0.330871D+01
      3  -0.418488D+01  0.362496D+01 -0.469911D+00  0.368594D+01  0.121858D+01
                 6             7             8             9            10 
      1   0.368594D+01 -0.474406D+01  0.376585D+01 -0.376563D+00  0.186045D+02
      2   0.121858D+01  0.376585D+01  0.166045D+01 -0.228958D+00 -0.227196D+01
      3  -0.882782D+00 -0.376563D+00 -0.228958D+00 -0.193500D+01  0.500404D+01
                11            12            13            14            15 
      1  -0.227196D+01  0.500404D+01 -0.563529D+01  0.131941D+01 -0.409593D+01
      2  -0.221850D-01 -0.324622D+01  0.131941D+01 -0.454205D+01 -0.216963D+01
      3  -0.324622D+01  0.209477D+00 -0.409593D+01 -0.216963D+01  0.336435D-01
                16            17            18            19            20 
      1   0.159528D+02 -0.398613D+01  0.187483D+01 -0.390860D+02 -0.191918D+01
      2  -0.398613D+01 -0.200617D+01  0.131589D+00 -0.191918D+01 -0.382004D+01
      3   0.187483D+01  0.131589D+00  0.102985D+01 -0.422012D+01  0.105647D+01
                21            22            23            24            25 
      1  -0.422012D+01  0.362745D+01 -0.782888D+01  0.265831D+01 -0.679735D+01
      2   0.105647D+01 -0.782888D+01 -0.171813D+01 -0.599138D+00  0.224998D+01
      3  -0.622437D+00  0.265831D+01 -0.599138D+00  0.287154D+01 -0.840172D+00
                26            27            28            29            30 
      1   0.224998D+01 -0.840172D+00  0.592606D+02  0.602779D+01  0.515840D+01
      2  -0.680836D+00  0.275688D+01  0.602779D+01  0.335106D+01 -0.173304D+00
      3   0.275688D+01  0.369413D+01  0.515840D+01 -0.173304D+00  0.201952D+01
                31            32            33            34            35 
      1   0.122400D+02  0.721265D+01 -0.687994D+00  0.922686D+01 -0.120481D+00
      2   0.721265D+01  0.378122D+01 -0.249017D-01 -0.120481D+00  0.579365D+00
      3  -0.687994D+00 -0.249017D-01 -0.174850D+01  0.396555D+01 -0.179592D+01
                36            37            38            39            40 
      1   0.396555D+01 -0.577652D+02 -0.786415D+01 -0.616641D+01 -0.126957D+02
      2  -0.179592D+01 -0.786415D+01 -0.270440D+01  0.106251D+00 -0.532911D+01
      3  -0.215192D+01 -0.616641D+01  0.106251D+00 -0.744110D+00  0.343063D-01
                41            42            43            44            45 
      1  -0.532911D+01  0.343063D-01 -0.791396D+01  0.638417D-01 -0.321561D+01
      2  -0.282007D+01 -0.283560D+00  0.638417D-01 -0.670747D+00  0.252394D+01
      3  -0.283560D+00  0.291690D+01 -0.321561D+01  0.252394D+01  0.270862D+01
                46            47            48            49            50 
      1   0.410857D+02  0.778895D+01  0.601074D+01  0.956256D+01  0.196680D+01
      2   0.778895D+01  0.850461D+00  0.163054D+01  0.196680D+01  0.861190D+00
      3   0.601074D+01  0.163054D+01  0.953280D+00  0.217773D+01  0.244171D+00
                51            52            53            54            55 
      1   0.217773D+01  0.440638D+01  0.190166D+01  0.203455D+01 -0.339774D+02
      2   0.244171D+00  0.190166D+01  0.326799D+00 -0.980902D+00 -0.603016D+01
      3  -0.114392D+01  0.203455D+01 -0.980902D+00 -0.221969D+01 -0.570396D+01
                56            57            58            59            60 
      1  -0.603016D+01 -0.570396D+01 -0.130384D+02 -0.642269D+01 -0.145826D+01
      2  -0.217383D+01 -0.126581D+01 -0.642269D+01 -0.397907D+01 -0.217397D+01
      3  -0.126581D+01 -0.275702D+01 -0.145826D+01 -0.217397D+01 -0.677592D+00
                61            62            63            64            65 
      1  -0.188349D+02 -0.310392D+01 -0.586348D+01 -0.694384D+01  0.153994D+01
      2  -0.310392D+01 -0.135739D+01 -0.147597D+01  0.153994D+01  0.477543D+00
      3  -0.586348D+01 -0.147597D+01 -0.424126D+01 -0.304171D+01  0.382151D+01
                66            67            68            69            70 
      1  -0.304171D+01  0.159107D+01 -0.454749D+00  0.379351D+01 -0.676917D+01
      2   0.382151D+01 -0.454749D+00  0.269160D+01  0.322570D+01  0.377752D+01
      3  -0.129015D+00  0.379351D+01  0.322570D+01 -0.106500D+01 -0.138376D+01
                71            72            73            74            75 
      1   0.377752D+01 -0.138376D+01 -0.629249D+01 -0.182039D+01 -0.159225D+01
      2   0.309081D+01 -0.407795D+00 -0.182039D+01  0.150819D+01 -0.369646D+00
      3  -0.407795D+00  0.159565D+01 -0.159225D+01 -0.369646D+00  0.255236D+01
                76            77            78            79            80 
      1  -0.192018D+01  0.217772D+01 -0.737080D+00  0.100897D+00 -0.198615D+00
      2   0.217772D+01  0.541255D+01  0.226386D+01 -0.198615D+00  0.182620D+01
      3  -0.737080D+00  0.226386D+01 -0.169496D+01  0.237462D+01 -0.230144D+01
                81            82            83            84            85 
      1   0.237462D+01  0.567414D+01  0.209459D+01  0.101438D+01  0.501104D+01
      2  -0.230144D+01  0.209459D+01  0.443695D+01  0.248931D+01  0.610298D+01
      3  -0.281364D+01  0.101438D+01  0.248931D+01 -0.310618D+01  0.168804D+01
                86            87            88            89            90 
      1   0.610298D+01  0.168804D+01  0.713416D+01  0.461391D+01 -0.329225D+01
      2  -0.161898D+01  0.427996D+00  0.461391D+01  0.410421D+00 -0.180052D+00
      3   0.427996D+00  0.293797D-01 -0.329225D+01 -0.180052D+00  0.500267D+00
                91            92            93            94            95 
      1   0.875710D+01  0.968035D+00 -0.284586D+01  0.224803D+01 -0.134283D+01
      2   0.968035D+00 -0.224214D+01 -0.107942D+00 -0.134283D+01 -0.388909D+01
      3  -0.284586D+01 -0.107942D+00 -0.277217D+01 -0.469298D+00 -0.128074D+01
                96            97            98            99           100 
      1  -0.469298D+00 -0.476391D+00 -0.244209D+00 -0.288666D+01  0.109418D+02
      2  -0.128074D+01 -0.244209D+00 -0.692584D+00  0.196453D+01  0.254784D+01
      3   0.212722D+01 -0.288666D+01  0.196453D+01  0.666012D+00  0.231121D+01
               101           102           103           104           105 
      1   0.254784D+01  0.231121D+01  0.120646D+01  0.147312D+01  0.271962D+00
      2   0.212804D+01  0.603008D+00  0.147312D+01  0.681297D+00  0.221389D+00
      3   0.603008D+00  0.152661D+01  0.271962D+00  0.221389D+00  0.373017D+00
               106           107           108           109           110 
      1   0.584426D+00  0.206708D+00  0.108204D+01 -0.303921D+00  0.517800D+00
      2   0.206708D+00 -0.851592D-01  0.626947D+00  0.517800D+00 -0.997040D+00
      3   0.108204D+01  0.626947D+00  0.104220D+01  0.960519D+00 -0.397007D+00
               111           112           113           114           115 
      1   0.960519D+00  0.312124D+00 -0.150176D+00  0.602200D-01  0.119808D+01
      2  -0.397007D+00 -0.150176D+00  0.748250D+00  0.986311D+00  0.578451D-01
      3  -0.205080D+01  0.602200D-01  0.986311D+00  0.141549D+01 -0.170681D+00
               116           117           118           119           120 
      1   0.578451D-01 -0.170681D+00 -0.417515D+00 -0.449984D+00 -0.656857D+00
      2   0.202388D+01  0.206432D+01 -0.449984D+00  0.269714D+00 -0.123992D+00
      3   0.206432D+01  0.736054D+01 -0.656857D+00 -0.123992D+00 -0.105321D+00
               121           122           123           124           125 
      1  -0.201394D+01  0.377694D+00 -0.232225D-01 -0.137346D+01  0.667546D-01
      2   0.377694D+00 -0.797448D+00 -0.115957D+01  0.667546D-01 -0.137229D+01
      3  -0.232225D-01 -0.115957D+01 -0.169050D+01  0.431209D+00 -0.110402D+01
               126           127           128           129           130 
      1   0.431209D+00 -0.206405D+01  0.162326D+01 -0.958380D-01  0.554013D+00
      2  -0.110402D+01  0.162326D+01 -0.419504D+01 -0.246124D+00 -0.184964D+01
      3  -0.676939D+01 -0.958380D-01 -0.246124D+00 -0.326045D+00 -0.272118D+00
               131           132           133           134           135 
      1  -0.184964D+01 -0.272118D+00  0.228998D+00 -0.566779D+00  0.213450D+00
      2   0.803042D+01  0.482047D-01 -0.566779D+00  0.146827D+01  0.113550D+01
      3   0.482047D-01  0.980809D+00  0.213450D+00  0.113550D+01  0.272407D+00
               136           137           138           139           140 
      1   0.300863D+01  0.151858D+01 -0.193316D+01 -0.198155D+00  0.830942D+00
      2   0.151858D+01  0.158072D+01 -0.141517D+01  0.830942D+00  0.219939D+01
      3  -0.193316D+01 -0.141517D+01  0.250536D+01 -0.100550D+01 -0.146935D+01
               141           142           143           144           145 
      1  -0.100550D+01 -0.438544D+01 -0.234828D+01  0.276787D+01  0.526298D+01
      2  -0.146935D+01 -0.234828D+01 -0.284161D+01  0.236859D+01 -0.232790D+01
      3   0.126400D+01  0.276787D+01  0.236859D+01 -0.454938D+01  0.314428D+01
               146           147           148           149           150 
      1  -0.232790D+01  0.314428D+01 -0.135535D+01  0.148160D+01 -0.127194D+01
      2   0.249236D+01 -0.210460D+01  0.148160D+01 -0.238614D+01  0.140123D+01
      3  -0.210460D+01  0.328389D+01 -0.127194D+01  0.140123D+01 -0.125735D+01
               151           152           153           154           155 
      1   0.233326D+01 -0.162319D+01  0.229899D+01 -0.132179D+01 -0.141002D+01
      2  -0.162319D+01  0.145082D+01 -0.182390D+01 -0.141002D+01 -0.243141D+01
      3   0.229899D+01 -0.182390D+01  0.373807D+01  0.122780D+00 -0.394756D+00
               156           157           158           159           160 
      1   0.122780D+00 -0.135978D+01 -0.137483D+01 -0.411465D+00 -0.494155D+00
      2  -0.394756D+00 -0.137483D+01 -0.662433D+01 -0.379640D+00 -0.693187D+00
      3  -0.580497D+00 -0.411465D+00 -0.379640D+00 -0.125640D+01 -0.279698D+00
               161           162           163           164           165 
      1  -0.693187D+00 -0.279698D+00 -0.351705D+01  0.688337D+00  0.190581D+01
      2  -0.252268D+01 -0.790790D+00  0.688337D+00 -0.116434D+01 -0.283494D+00
      3  -0.790790D+00 -0.799156D+00  0.190581D+01 -0.283494D+00 -0.243181D+01
               166           167           168           169           170 
      1   0.171339D+01 -0.949091D+00 -0.714614D+00  0.194141D+01 -0.657794D+00
      2  -0.949091D+00  0.714789D+00  0.317384D+00 -0.657794D+00  0.786742D+00
      3  -0.714614D+00  0.317384D+00  0.157094D+01 -0.187541D+01  0.258732D+00
               171           172           173           174           175 
      1  -0.187541D+01 -0.331041D+00 -0.652199D+00 -0.672863D-01 -0.152754D+01
      2   0.258732D+00 -0.652199D+00 -0.192226D+01 -0.118545D+01  0.399867D+00
      3   0.399579D+01 -0.672863D-01 -0.118545D+01 -0.111276D+01 -0.513721D-01
               176           177           178           179           180 
      1   0.399867D+00 -0.513721D-01 -0.299333D+00 -0.195819D+00  0.303640D+00
      2  -0.590227D+01 -0.276613D+01 -0.195819D+00 -0.274080D+01 -0.200761D+01
      3  -0.276613D+01 -0.219565D+01  0.303640D+00 -0.200761D+01 -0.257584D+01
               181           182           183           184           185 
      1   0.843821D+01 -0.286412D+01  0.156349D+01 -0.223938D+01  0.205726D+01
      2  -0.286412D+01  0.184378D+01 -0.789582D+00  0.205726D+01 -0.189361D+01
      3   0.156349D+01 -0.789582D+00  0.150440D+01 -0.715692D+00  0.176293D+00
               186           187           188           189           190 
      1  -0.715692D+00  0.535270D+01 -0.183798D+01  0.172116D+01  0.279682D+01
      2   0.176293D+00 -0.183798D+01  0.116575D+01 -0.646275D+00  0.687212D+00
      3  -0.482637D+00  0.172116D+01 -0.646275D+00  0.148932D+01 -0.127977D+01
               191           192           193           194           195 
      1   0.687212D+00 -0.127977D+01  0.218184D+01  0.710355D+00 -0.175861D+01
      2   0.646716D+00 -0.923790D+00  0.710355D+00  0.205876D+01 -0.160359D+01
      3  -0.923790D+00  0.152964D+01 -0.175861D+01 -0.160359D+01  0.247140D+01
               196           197           198           199           200 
      1  -0.189853D+01 -0.934918D+00  0.236363D+01  0.132781D+01  0.776751D+00
      2  -0.934918D+00 -0.186920D+01  0.133487D+01  0.776751D+00  0.103808D+00
      3   0.236363D+01  0.133487D+01 -0.433080D+01  0.116811D+01 -0.991287D-01
               201           202           203           204           205 
      1   0.116811D+01  0.173261D+01 -0.910445D+00  0.259648D+00  0.196068D+01
      2  -0.991287D-01 -0.910445D+00  0.743368D+00  0.104665D+01  0.408592D+00
      3  -0.429516D+00  0.259648D+00  0.104665D+01  0.157437D+01 -0.345340D+00
               206           207           208           209           210 
      1   0.408592D+00 -0.345340D+00 -0.930339D+00 -0.517965D+00 -0.888088D+00
      2   0.146542D+01  0.148102D+01 -0.517965D+00 -0.699469D-01 -0.394543D-01
      3   0.148102D+01  0.432754D+01 -0.888088D+00 -0.394543D-01  0.212834D-01
               211           212           213           214           215 
      1  -0.101225D+01  0.109276D+00 -0.414990D+00 -0.179402D+01 -0.309230D+00
      2   0.109276D+00 -0.124687D+01 -0.142711D+01 -0.309230D+00 -0.171656D+01
      3  -0.414990D+00 -0.142711D+01 -0.238604D+01 -0.289615D+00 -0.204373D+01
               216           217           218           219           220 
      1  -0.289615D+00 -0.853622D+00  0.577640D+00  0.191808D+00  0.214558D+01
      2  -0.204373D+01  0.577640D+00  0.114887D+01  0.312308D+00 -0.181584D+00
      3  -0.685069D+01  0.191808D+00  0.312308D+00  0.103128D+01 -0.702003D+00
               221           222           223           224           225 
      1  -0.181584D+00 -0.702003D+00  0.881196D+00  0.135432D+00  0.981270D-01
      2   0.704617D+01  0.168189D+01  0.135432D+00  0.509371D+00  0.684077D+00
      3   0.168189D+01  0.191270D+01  0.981270D-01  0.684077D+00  0.769140D+00
               226           227           228           229           230 
      1   0.548873D+00 -0.916663D+00  0.927475D+00 -0.130996D+01  0.572553D+00
      2  -0.916663D+00  0.115607D+01 -0.398374D+00  0.572553D+00 -0.107546D+01
      3   0.927475D+00 -0.398374D+00  0.270909D+01 -0.136030D+00  0.155937D+01
               231           232           233           234           235 
      1  -0.136030D+00  0.262282D+01 -0.460912D+00  0.607491D+00 -0.970646D+01
      2   0.155937D+01 -0.460912D+00  0.149021D+01 -0.133472D+01  0.214805D+00
      3  -0.255238D+01  0.607491D+00 -0.133472D+01  0.490533D+01  0.319315D+01
               236           237           238           239           240 
      1   0.214805D+00  0.319315D+01 -0.661437D+00 -0.920810D+00  0.296440D+00
      2  -0.119258D+01 -0.805166D-01 -0.920810D+00  0.215798D+00  0.518286D+00
      3  -0.805166D-01 -0.220858D+01  0.296440D+00  0.518286D+00 -0.507699D+00
               241           242           243 
      1   0.185613D+01  0.333466D-01 -0.131791D+01
      2   0.333466D-01  0.301501D+00 -0.208908D+00
      3  -0.131791D+01 -0.208908D+00  0.114191D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.605427D+01  0.937338D+01  0.545134D+01  0.875490D+01  0.912910D+01
      2  -0.804679D+01  0.205419D+01  0.781194D+01  0.652332D+01 -0.637315D-01
      3  -0.280871D+01 -0.796073D+01  0.235062D+01 -0.368153D+00 -0.703367D+01
                 6             7             8             9            10 
      1  -0.199944D+01  0.584404D+01  0.465981D+01 -0.504386D+01  0.396648D+01
      2  -0.688429D+01  0.359136D+01 -0.709544D+01 -0.277046D+01  0.175051D+02
      3  -0.871547D+01  0.115366D+01 -0.104259D+02  0.635936D+00  0.907547D+01
                11            12            13            14            15 
      1  -0.469594D+01 -0.897611D-01 -0.588759D+01 -0.583478D+01 -0.490480D+01
      2  -0.771810D+01  0.447021D+01 -0.107171D+02 -0.331944D+01  0.298555D+00
      3  -0.203085D+01  0.700137D+01  0.667784D+01  0.120808D+02  0.905145D+01
                16            17            18            19            20 
      1   0.170546D+01  0.383082D+01 -0.439738D+00  0.224961D+01  0.243560D+01
      2   0.425492D+01  0.131029D+01  0.318548D+01 -0.265848D+02 -0.164121D+01
      3   0.921243D+01  0.926746D+01 -0.671294D+00 -0.154533D+02 -0.402144D+01
                21            22            23            24            25 
      1  -0.119279D+01  0.567647D+01  0.327455D+01 -0.254754D+01 -0.341780D+01
      2  -0.828890D-01 -0.104227D+00 -0.625062D+01  0.426109D+01 -0.148210D+02
      3  -0.317046D+01  0.589276D+01 -0.580093D+01  0.238746D+01 -0.307774D+01
                26            27            28            29            30 
      1   0.368000D+01 -0.373142D+01 -0.817966D+01  0.864068D+00 -0.426309D+00
      2   0.239695D+01  0.226807D+00  0.305863D+02  0.538603D+01 -0.117657D+01
      3   0.319675D+00 -0.187682D+01  0.165766D+02  0.787720D+01 -0.926464D-01
                31            32            33            34            35 
      1   0.605782D+01 -0.857521D+00 -0.280797D+01 -0.263191D+01  0.177541D+01
      2   0.129942D+02  0.333028D+01  0.263341D-01 -0.201075D+02 -0.193993D+01
      3   0.356630D+02  0.924375D+01  0.277289D+01 -0.128665D+01 -0.425262D+00
                36            37            38            39            40 
      1   0.327439D+01  0.827791D+01 -0.197754D+01  0.963674D+00 -0.691334D+01
      2  -0.260750D+00 -0.226177D+02 -0.548528D+01  0.347512D+01 -0.119996D+02
      3   0.431037D+00 -0.223833D+02 -0.112715D+02 -0.569018D+00 -0.296144D+01
                41            42            43            44            45 
      1  -0.123751D+00 -0.807376D+00  0.765862D+01  0.182288D+01 -0.469840D+00
      2  -0.352914D+01 -0.519228D+01 -0.129949D+02 -0.634954D+01 -0.116583D+02
      3  -0.368513D+01  0.174022D+01  0.119840D+01  0.312098D+01  0.364777D+01
                46            47            48            49            50 
      1  -0.646762D+01  0.893284D+01 -0.317750D+00  0.383616D+01 -0.643230D+01
      2   0.648726D+01  0.508511D+01 -0.757955D+01  0.432838D+01 -0.361378D+00
      3   0.143420D+02  0.156007D+02  0.114723D+01  0.230090D+02  0.573037D+01
                51            52            53            54            55 
      1  -0.136108D+02  0.191652D+00 -0.267289D+01  0.940932D+01  0.364408D+01
      2  -0.229942D+01 -0.158429D+02  0.151494D+00  0.628813D+01 -0.578269D+01
      3  -0.222499D+01 -0.766643D+00  0.727549D+00 -0.509095D+00 -0.114495D+02
                56            57            58            59            60 
      1  -0.205042D+01 -0.107661D+01  0.306684D+01  0.284780D+01  0.328334D+00
      2  -0.734376D+00  0.171496D+02 -0.474297D+01  0.267522D+01  0.640185D+01
      3  -0.179145D+02 -0.289711D+01 -0.132676D+02 -0.137363D+02 -0.455312D+01
                61            62            63            64            65 
      1   0.872899D+00  0.369687D+01 -0.300694D+01 -0.413106D+01  0.489859D+01
      2   0.171871D+01  0.224111D+01  0.132324D+02 -0.144984D+02  0.144093D+02
      3  -0.521988D+01 -0.890795D+01 -0.401672D+01  0.457451D+00 -0.556702D+01
                66            67            68            69            70 
      1  -0.512741D+01  0.671715D+01  0.212125D+01 -0.696112D+01 -0.734710D+01
      2  -0.151205D+01  0.135962D+02  0.115772D+02  0.463486D+00 -0.128466D+02
      3  -0.100565D+02  0.427437D+01 -0.992514D+01 -0.169582D+02 -0.107755D+02
                71            72            73            74            75 
      1  -0.125611D+01  0.383248D+01 -0.124950D+01  0.440189D+01 -0.532477D+01
      2   0.317616D+01  0.606389D+01  0.647092D+01  0.235174D+01  0.125317D+02
      3  -0.161089D+02  0.307013D+01 -0.233321D+01 -0.114048D+02  0.119515D+00
                76            77            78            79            80 
      1   0.154287D+01  0.240308D+01  0.434378D+01 -0.411835D+01  0.878831D+01
      2   0.676377D+00  0.360172D+01 -0.531312D+01  0.511070D+01 -0.730744D+01
      3  -0.504993D+01 -0.126895D+02 -0.861382D+01  0.153020D+01 -0.735391D+01
                81            82            83            84            85 
      1   0.367694D+00 -0.310259D+01 -0.113962D+02  0.790316D+01 -0.121779D+02
      2  -0.116666D+02  0.611016D+01  0.484552D+01 -0.279897D+01  0.705529D+01
      3   0.115140D+02  0.683510D+00 -0.914730D+01 -0.359304D+01  0.284060D+01
                86            87            88            89            90 
      1   0.121317D+01 -0.369525D+01  0.759563D+01  0.264360D+01 -0.998006D-01
      2   0.604984D+01  0.184557D+01 -0.348337D+01  0.306377D+01 -0.244471D+01
      3   0.148783D+02  0.470655D+01 -0.234098D+00  0.976424D+01 -0.919316D+01
                91            92            93            94            95 
      1   0.210365D+01 -0.604069D+01  0.323324D+01  0.207842D+01 -0.683430D+01
      2   0.286373D+01 -0.100197D+01  0.180180D+02 -0.166972D+00  0.886521D+01
      3   0.618625D+01 -0.102298D+02 -0.185667D+01 -0.749754D+00 -0.147126D+02
                96            97            98            99           100 
      1  -0.935480D+01 -0.530113D+00  0.259595D+01  0.367335D+01 -0.875105D+00
      2  -0.914399D+01  0.846551D+01 -0.696616D+01  0.184973D+01 -0.426079D+01
      3  -0.509688D+01 -0.859617D+00 -0.545139D+00  0.501844D+01  0.699058D+01
               101           102           103           104           105 
      1   0.197900D+01 -0.207684D+01  0.403376D+00  0.522772D-01 -0.145469D+01
      2  -0.343493D+00  0.540907D+01 -0.655628D+00 -0.643013D+00  0.112068D+01
      3  -0.665895D+01  0.103889D+01 -0.248250D+00 -0.782217D-01  0.487335D+00
               106           107           108           109           110 
      1  -0.923364D+00  0.340617D-01 -0.663807D+00 -0.747699D+00 -0.177481D+01
      2   0.909159D+00  0.131135D+01  0.230317D+01  0.432866D+01 -0.156735D+01
      3   0.310055D+00  0.413403D+00 -0.465420D+00 -0.233554D+01  0.241646D+01
               111           112           113           114           115 
      1   0.265829D+01 -0.735617D+00 -0.786081D+00 -0.212257D+01  0.661679D+00
      2  -0.626046D+01 -0.790194D+00  0.327457D+01  0.372163D+01 -0.579787D+01
      3   0.226520D+01  0.248796D+01 -0.164090D+01 -0.236560D+01  0.233384D+01
               116           117           118           119           120 
      1   0.220622D+01 -0.749565D+01  0.725398D+00  0.357926D+00  0.695837D-01
      2   0.525213D+01  0.205705D+02 -0.202626D+01 -0.609238D+00  0.546313D+00
      3  -0.449941D+01 -0.591111D+01  0.472558D+00 -0.108045D+01 -0.289271D+00
               121           122           123           124           125 
      1   0.997712D+00  0.210352D+01  0.547876D+00 -0.293513D+00  0.489448D+01
      2  -0.201174D+01 -0.545311D+00 -0.177251D+01 -0.459119D+01 -0.857704D+00
      3   0.184471D+01  0.436867D+00  0.863257D+00 -0.203939D+00  0.582184D+00
               126           127           128           129           130 
      1   0.296259D+01 -0.672616D+00  0.335637D+01  0.220674D+01  0.177762D+01
      2  -0.589929D+01 -0.137065D+01  0.412588D+00  0.352919D+00 -0.253904D+00
      3   0.130722D+01 -0.919772D+01  0.919291D+01  0.381498D+00  0.948627D+01
               131           132           133           134           135 
      1  -0.505374D+01 -0.498231D+01 -0.910854D-01 -0.215936D+01 -0.172657D+01
      2  -0.132459D+01  0.371366D+00 -0.736818D+00  0.135904D+01  0.553337D+00
      3  -0.174939D+02 -0.447464D+00  0.218431D+01 -0.396818D+01 -0.153716D+01
               136           137           138           139           140 
      1   0.321883D+01  0.139984D+01 -0.573338D+01  0.161655D+01  0.165534D+01
      2  -0.258452D+00 -0.149200D+01  0.463990D+01 -0.164633D+01 -0.197769D+01
      3   0.398144D+01 -0.208386D+01 -0.130944D+01  0.393444D+00 -0.293902D+01
               141           142           143           144           145 
      1  -0.267738D+01 -0.520491D+01 -0.620737D+00  0.934861D+01  0.171068D+01
      2   0.209607D+01 -0.340636D+00  0.255821D+01 -0.613491D+01 -0.306165D+01
      3   0.412332D+00 -0.423733D+01  0.157990D+01  0.133404D+01 -0.431941D+01
               146           147           148           149           150 
      1   0.930423D+00  0.324797D+01 -0.137872D+00 -0.129847D+01 -0.170448D+01
      2  -0.937750D+00  0.357565D+01  0.167767D+01  0.535981D+00 -0.297910D+00
      3  -0.287519D+01 -0.592861D+00  0.183523D+01  0.253536D+01  0.399816D-01
               151           152           153           154           155 
      1   0.121708D+01  0.845604D+00  0.409575D+01 -0.209405D+01 -0.469370D+01
      2  -0.260144D+01 -0.370706D+00  0.372341D+01  0.243609D+01  0.169331D+01
      3  -0.291625D+01 -0.333938D+00 -0.620472D+00  0.704215D+01  0.548746D+01
               156           157           158           159           160 
      1  -0.294724D+01 -0.318114D+01 -0.101594D+02 -0.542984D+01 -0.191651D+01
      2   0.209893D-01  0.149514D+01  0.275635D+01 -0.163340D+00 -0.937761D+00
      3   0.749776D+00  0.741645D+01  0.132001D+02  0.127246D+01  0.336271D+01
               161           162           163           164           165 
      1  -0.338090D+01 -0.384919D+01  0.613952D+01 -0.458722D+01 -0.447815D+01
      2   0.339467D+00 -0.172945D+00  0.121807D+02 -0.230387D+01 -0.537257D+01
      3   0.555116D+01  0.200083D+01  0.588757D+01 -0.902074D+00 -0.321855D+01
               166           167           168           169           170 
      1  -0.422818D+01  0.324699D+01  0.159141D+01 -0.488771D+01  0.392649D+01
      2  -0.565870D+01  0.229129D+01  0.326405D+01 -0.888871D+01  0.189630D+01
      3   0.214639D+00  0.741154D+00  0.110404D+01 -0.335792D+01  0.148495D+01
               171           172           173           174           175 
      1   0.659691D+01  0.514360D+00  0.504718D+00 -0.113950D+01  0.544352D-01
      2   0.815942D+01 -0.193043D+01 -0.450792D+01 -0.270828D+01 -0.275884D+01
      3   0.326024D+01  0.435268D+01  0.613632D+01  0.390231D+01  0.327049D+01
               176           177           178           179           180 
      1   0.227759D+01 -0.294287D+01  0.572740D+00  0.156817D+01 -0.254474D+01
      2  -0.962109D+01 -0.752385D+01 -0.116034D+01 -0.703822D+01 -0.800593D+01
      3   0.191425D+02  0.952640D+01  0.223494D+01  0.998351D+01  0.671978D+01
               181           182           183           184           185 
      1   0.446839D+01 -0.213458D+01  0.355853D+01 -0.240594D+01  0.129092D+01
      2   0.111038D+02 -0.497021D+01  0.936180D+01 -0.428221D+01  0.186033D+01
      3  -0.772633D+00 -0.573774D+01  0.850020D+00 -0.217282D+01  0.476921D+01
               186           187           188           189           190 
      1  -0.187259D+01  0.277968D+01 -0.230543D+00  0.274315D+01 -0.237866D+01
      2  -0.323685D+01  0.710514D+01 -0.302130D+01  0.744170D+01 -0.177246D+01
      3   0.419961D+00  0.133842D+01 -0.300807D+01  0.302869D+00 -0.396575D+01
               191           192           193           194           195 
      1  -0.229591D+01  0.262660D+01 -0.209820D+01 -0.614165D+01  0.350076D+01
      2  -0.234596D+01  0.509768D+01 -0.261063D+01 -0.514345D+01  0.745279D+01
      3  -0.393293D+01  0.448268D+01 -0.256601D+01 -0.921727D+01  0.685203D+01
               196           197           198           199           200 
      1   0.343495D+01  0.618224D+01 -0.583203D+01  0.107025D+00 -0.334215D+00
      2   0.367749D+01  0.390711D+01 -0.126389D+02  0.241455D+00  0.255508D+00
      3   0.452089D+01  0.834089D+01 -0.665203D+01  0.794041D+00  0.658891D+00
               201           202           203           204           205 
      1   0.434842D+00 -0.439314D+01 -0.524495D+00 -0.236771D+01  0.160547D+01
      2  -0.239237D+00 -0.152273D+01 -0.141019D+01 -0.757851D+00 -0.317360D+01
      3   0.699840D+00  0.277286D+01  0.442103D-01  0.549682D-01  0.205359D+01
               206           207           208           209           210 
      1   0.207802D+01 -0.336342D+01  0.934743D+00 -0.379097D+00 -0.293727D-01
      2   0.176315D+00 -0.239410D+01  0.983368D+00  0.150727D-01  0.743527D+00
      3   0.838728D+00 -0.633706D-01 -0.152767D+01 -0.644715D+00 -0.493081D+00
               211           212           213           214           215 
      1  -0.213055D+01  0.142918D+01 -0.163598D+00  0.821015D+00  0.423070D+01
      2  -0.297749D+00  0.285704D+01  0.439429D+01 -0.383228D+01  0.372752D+01
      3   0.330554D+01 -0.198123D+01 -0.279815D+01 -0.445019D+00 -0.339841D+01
               216           217           218           219           220 
      1  -0.190464D+00 -0.176559D-01  0.243765D+01  0.376686D+00 -0.382353D+00
      2   0.121058D+02 -0.142148D+01 -0.240413D+01 -0.308982D+01 -0.753703D+00
      3  -0.435280D+01  0.232864D+01  0.413100D+01  0.131938D+01  0.218797D+01
               221           222           223           224           225 
      1   0.118792D+02  0.108637D+01  0.157496D+01  0.858106D+00  0.386764D+00
      2  -0.700347D+01 -0.523754D+01 -0.868006D+00 -0.225302D+01 -0.327889D+01
      3   0.245683D+02  0.569013D+01  0.160258D+01  0.135523D+01  0.228199D+01
               226           227           228           229           230 
      1  -0.868817D+00  0.262161D+01 -0.356372D+01  0.124532D+00 -0.314507D+01
      2  -0.680968D+01  0.339265D+01 -0.115583D+02  0.303749D+01 -0.741310D+01
      3  -0.251049D+01  0.268398D+01 -0.138935D+01  0.178908D+01 -0.321015D+01
               231           232           233           234           235 
      1   0.404536D+01 -0.220712D+01  0.421099D+01 -0.530199D+01 -0.122140D+01
      2   0.102049D+02 -0.725939D+01  0.578207D+01 -0.189308D+02  0.172070D+01
      3   0.557720D+01 -0.114122D+01  0.422972D+01 -0.423502D+01 -0.368239D+01
               236           237           238           239           240 
      1  -0.213354D+01  0.792963D+00 -0.609055D+00  0.944249D-01 -0.159116D+00
      2   0.334964D+00  0.629659D+01 -0.410770D+00 -0.106881D+01  0.190025D+01
      3  -0.631192D+01  0.104614D+01 -0.207397D+01  0.340463D+00  0.138987D+01
               241           242           243 
      1   0.602299D+00  0.138255D+01 -0.757971D+00
      2  -0.453063D+00  0.982676D+00 -0.202217D+01
      3   0.148580D+01  0.141541D+01 -0.141982D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.846464D+01  0.504856D+01 -0.657294D+01  0.991336D+00  0.669183D+01
      2   0.220909D+01 -0.184672D+02 -0.505713D+01 -0.132180D+02 -0.168593D+02
      3  -0.106737D+02  0.134186D+02  0.116301D+02  0.122267D+02  0.101675D+02
      4   0.109169D+02 -0.424679D+01  0.214977D+02 -0.196207D+01  0.613470D+01
      5  -0.176019D+02  0.174688D+02 -0.129276D+02  0.168125D+02  0.367316D+01
      6   0.127498D+02 -0.116994D+02  0.113257D+02 -0.796563D+01 -0.358359D+01
                 6             7             8             9            10 
      1   0.190569D+02 -0.605926D+01  0.194239D+02 -0.148780D+01 -0.121713D+01
      2  -0.126200D+02 -0.709677D+01 -0.156057D+02  0.662480D+01  0.610937D+01
      3  -0.643682D+01  0.131560D+02 -0.381815D+01 -0.513700D+01 -0.489224D+01
      4  -0.612445D+01  0.224946D+02 -0.872132D+01  0.439346D+01 -0.141321D+02
      5   0.680366D+01 -0.126597D+02  0.926146D+01 -0.812510D+01  0.110365D+02
      6   0.427258D+01  0.102512D+02  0.301389D+01  0.121072D+01 -0.114796D+02
                11            12            13            14            15 
      1  -0.252066D+01  0.761306D+01 -0.536541D+01 -0.100468D+02 -0.193769D+02
      2   0.470779D+01 -0.288786D+00  0.356961D+01  0.125756D+02  0.663184D+01
      3  -0.218714D+01 -0.732427D+01  0.179581D+01 -0.252882D+01  0.127451D+02
      4   0.577868D+00 -0.190325D+02  0.344653D+01 -0.253119D+02 -0.532008D+01
      5  -0.156016D+02 -0.269432D+01 -0.171356D+02 -0.146608D+02  0.901945D+00
      6   0.793926D+01 -0.371503D+01 -0.189112D+01 -0.168446D+01 -0.617091D+01
                16            17            18            19            20 
      1   0.684681D+01 -0.183947D+02 -0.331148D+01  0.424184D+02  0.989575D+01
      2   0.600970D+01  0.961842D+01 -0.277214D+01 -0.396143D+02 -0.137126D+02
      3  -0.128565D+02  0.877628D+01  0.608362D+01 -0.280418D+01  0.381687D+01
      4  -0.277820D+02 -0.484965D+00 -0.706017D+00  0.801436D+01 -0.864112D+01
      5  -0.468948D+01  0.549394D+00  0.250098D+01  0.168891D+02  0.487901D+01
      6  -0.462236D+01 -0.311393D+01  0.118694D+01  0.103404D+02 -0.327839D+00
                21            22            23            24            25 
      1   0.420461D+01  0.182809D+02  0.636185D+01  0.689713D+01 -0.149353D-02
      2  -0.348023D+01 -0.175244D+02 -0.110005D+02  0.266229D+01 -0.467487D+01
      3  -0.724379D+00 -0.756422D+00  0.463862D+01 -0.955943D+01  0.467636D+01
      4   0.548943D+01 -0.285041D+02 -0.442609D+01 -0.281764D+01  0.135289D+02
      5   0.481527D+01  0.497453D+01  0.526630D+01  0.401471D+01  0.351791D+01
      6   0.298599D+01  0.724409D+01  0.621256D+01  0.769215D+00  0.276663D+01
                26            27            28            29            30 
      1   0.883680D+01  0.142565D+02 -0.122766D+03 -0.123326D+02 -0.566712D+01
      2  -0.142394D+01  0.590832D+01  0.833941D+02  0.762349D+01  0.576546D+01
      3  -0.741285D+01 -0.201648D+02  0.393718D+02  0.470908D+01 -0.983398D-01
      4  -0.460958D+01  0.831318D+01 -0.136270D+02 -0.104846D+02  0.302976D+00
      5   0.501428D+01  0.567019D+01 -0.373984D+02 -0.194236D+01 -0.124491D+02
      6  -0.577423D+00 -0.208859D+01 -0.173691D+02 -0.562477D+01  0.914207D-01
                31            32            33            34            35 
      1  -0.350770D+02 -0.252187D+02  0.341842D+01 -0.299641D+02  0.180811D+00
      2   0.257220D+02  0.221670D+02 -0.289209D+01  0.176303D+02 -0.239834D+01
      3   0.935498D+01  0.305172D+01 -0.526324D+00  0.123338D+02  0.221753D+01
      4  -0.949270D+01 -0.100504D+02  0.140394D+01 -0.655853D+01  0.173445D+01
      5  -0.914803D+01 -0.475834D+01 -0.749345D-01 -0.109005D+02  0.194031D+01
      6  -0.565395D+01 -0.857999D+01  0.449301D+01 -0.155361D+01  0.108111D+01
                36            37            38            39            40 
      1  -0.111535D+02  0.176766D+03  0.288160D+02  0.189263D+02  0.316469D+02
      2   0.135701D+01 -0.108376D+03 -0.174498D+02 -0.125062D+02 -0.162259D+02
      3   0.979650D+01 -0.683900D+02 -0.113662D+02 -0.642010D+01 -0.154210D+02
      4   0.105701D+01  0.322511D+02  0.175844D+02 -0.503985D-01  0.308043D+02
      5   0.145985D+01  0.559757D+02  0.405104D+01  0.128928D+02  0.410099D+01
      6  -0.490532D+01  0.195380D+02  0.533731D+01 -0.111244D+00  0.991285D+01
                41            42            43            44            45 
      1   0.511372D+01  0.929614D+01  0.815363D+01  0.877870D+01  0.129630D+02
      2   0.197474D+01  0.201420D+01 -0.106692D+02 -0.317740D+01 -0.195891D+01
      3  -0.708846D+01 -0.113103D+02  0.251558D+01 -0.560130D+01 -0.110041D+02
      4   0.708163D+01  0.310000D+01 -0.726670D+01 -0.292238D+01 -0.947824D+01
      5   0.319393D+01 -0.116276D+02  0.158169D+02 -0.845473D+01 -0.115066D+02
      6   0.101368D+01  0.401355D+01 -0.278741D+00  0.147109D+01 -0.902884D+01
                46            47            48            49            50 
      1  -0.166094D+03 -0.302979D+02 -0.343309D+02 -0.510888D+02 -0.165314D+02
      2   0.920580D+02  0.142566D+02  0.189023D+02  0.267735D+02  0.114240D+02
      3   0.740356D+02  0.160413D+02  0.154286D+02  0.243153D+02  0.510743D+01
      4  -0.517249D+02 -0.254378D+02 -0.109277D+02 -0.995911D+01 -0.946054D+01
      5  -0.710041D+02 -0.148306D+02 -0.276493D+02 -0.255166D+02 -0.334433D+01
      6  -0.190584D+02 -0.269930D+01 -0.587561D+01  0.231259D+00 -0.557100D+01
                51            52            53            54            55 
      1  -0.103592D+02 -0.410152D+02 -0.110409D+02 -0.155950D+02  0.179754D+03
      2   0.912440D+01  0.142013D+02  0.318716D+00  0.129604D+02 -0.945083D+02
      3   0.123485D+01  0.268138D+02  0.107222D+02  0.263455D+01 -0.852459D+02
      4  -0.173990D+01 -0.198400D+02  0.819994D+00  0.400128D+01  0.455740D+02
      5   0.297355D+01 -0.208089D+02  0.487528D+01  0.148019D+02  0.674648D+02
      6   0.209934D+01  0.357336D+01 -0.456915D+01 -0.440462D+01  0.103608D+02
                56            57            58            59            60 
      1   0.301165D+02  0.359156D+02  0.559890D+02  0.282972D+02  0.449771D+01
      2  -0.117455D+02 -0.235368D+02 -0.243254D+02 -0.639988D+01 -0.746303D+00
      3  -0.183709D+02 -0.123788D+02 -0.316636D+02 -0.218973D+02 -0.375141D+01
      4   0.326252D+02  0.107076D+02  0.535078D+02  0.341586D+02  0.171662D+02
      5   0.128121D+02  0.396545D+02  0.190387D+02  0.188652D+02  0.933618D+01
      6   0.615278D+01  0.499752D+01  0.102954D+02  0.869371D+01  0.997704D+01
                61            62            63            64            65 
      1   0.853680D+02  0.110553D+02  0.264258D+02 -0.285601D+02  0.155676D+02
      2  -0.517787D+02 -0.472045D+01 -0.246501D+02  0.880510D+01 -0.510141D+01
      3  -0.335893D+02 -0.633487D+01 -0.177571D+01  0.197550D+02 -0.104662D+02
      4   0.218997D+02  0.131976D+02  0.113518D+02  0.171485D+02 -0.143438D+01
      5   0.635473D+02  0.133594D+02  0.402413D+02 -0.182037D+02  0.231061D+02
      6   0.992376D+01  0.100256D+02  0.563236D+01  0.101014D+02 -0.105509D+02
                66            67            68            69            70 
      1  -0.144160D+02  0.943380D+01  0.981514D+01  0.322139D+02 -0.228443D+02
      2  -0.101157D+01  0.105933D+01 -0.641183D+01 -0.242613D+02  0.971600D+00
      3   0.154276D+02 -0.104931D+02 -0.340332D+01 -0.795260D+01  0.218727D+02
      4   0.276763D+02 -0.567420D+01  0.104155D+02  0.104611D+02  0.329075D+02
      5  -0.480410D+00  0.236791D+02  0.151586D+02 -0.117816D+02 -0.402047D+01
      6  -0.449568D+01 -0.696027D+01 -0.116460D+02 -0.607068D+01 -0.279563D+01
                71            72            73            74            75 
      1   0.331287D+02 -0.533236D+01 -0.461886D+02 -0.166341D+02 -0.135182D+02
      2  -0.248737D+02  0.562158D+01  0.195983D+02  0.752681D+01 -0.169699D+01
      3  -0.825502D+01 -0.289222D+00  0.265904D+02  0.910728D+01  0.152151D+02
      4   0.808857D+01 -0.432926D+01 -0.226433D+02 -0.282865D+00 -0.320220D+01
      5  -0.829105D+01  0.978372D+01 -0.162859D+02 -0.362843D+01  0.856064D+01
      6  -0.681456D+01  0.399312D-02 -0.320972D+01 -0.267255D+01  0.784266D+01
                76            77            78            79            80 
      1  -0.144745D+02  0.705753D+01 -0.312374D+01 -0.414693D+01 -0.141532D+01
      2   0.108765D+02 -0.356048D+00  0.105720D+02 -0.476292D+01  0.725171D+01
      3   0.359803D+01 -0.670148D+01 -0.744831D+01  0.890984D+01 -0.583640D+01
      4   0.819997D+01  0.267556D+02  0.100156D+02 -0.196923D+00  0.250378D+01
      5  -0.577651D+01  0.165520D+02 -0.818996D+01  0.114935D+02 -0.817408D+01
      6   0.392107D+01  0.951509D+01 -0.108388D+01  0.609297D+01 -0.344532D+01
                81            82            83            84            85 
      1   0.211155D+02 -0.788386D+01 -0.119387D+02 -0.791091D+01 -0.135063D+02
      2  -0.430008D+01  0.132503D+02  0.280544D+02  0.973554D+01  0.248861D+02
      3  -0.168154D+02 -0.536648D+01 -0.161157D+02 -0.182464D+01 -0.113798D+02
      4  -0.423307D+01  0.567234D+01  0.878950D+01  0.875079D+01  0.189061D+02
      5  -0.826155D+01  0.109651D+01  0.865608D+01 -0.158930D+02  0.703834D+01
      6  -0.954497D+01  0.896239D+00  0.844727D+01 -0.145999D+02  0.194637D+01
                86            87            88            89            90 
      1   0.119895D+02  0.613300D+01 -0.240197D+02  0.733254D+01 -0.110466D+02
      2  -0.130268D+02 -0.534603D+01  0.238346D+02 -0.541513D+01  0.807255D+01
      3   0.103733D+01 -0.786970D+00  0.185045D+00 -0.191741D+01  0.297406D+01
      4   0.106661D+02  0.540474D+01  0.150575D+02  0.112446D+02 -0.101275D+02
      5  -0.212369D+01 -0.456714D+00 -0.233217D+02 -0.637076D+01  0.570420D+01
      6  -0.401299D+01 -0.172460D+01 -0.181421D+02 -0.344467D+01  0.609044D+01
                91            92            93            94            95 
      1  -0.558692D+02 -0.328917D+01  0.328679D+02 -0.115960D+02  0.227297D+02
      2   0.343440D+02 -0.374125D+01 -0.949603D+01  0.381736D+01 -0.177462D+02
      3   0.215252D+02  0.703043D+01 -0.233719D+02  0.777860D+01 -0.498349D+01
      4  -0.225293D+01  0.157342D+02  0.922318D+00  0.994620D+01  0.227088D+02
      5   0.298255D+02  0.261379D+01  0.106256D+02  0.589264D+01  0.370926D+01
      6   0.207818D+01 -0.708176D+01  0.137441D+01 -0.452944D+01 -0.102814D+02
                96            97            98            99           100 
      1  -0.265521D+01  0.172323D+02 -0.498292D+01  0.141552D+02  0.798434D+02
      2  -0.104270D+02 -0.259590D+01 -0.301505D+01 -0.845072D+01 -0.385510D+02
      3   0.130823D+02 -0.146364D+02  0.799798D+01 -0.570447D+01 -0.412925D+02
      4   0.632880D+01  0.243963D+01  0.179531D+01 -0.125834D+02  0.349626D+02
      5  -0.114475D+02  0.138615D+02 -0.109936D+02 -0.114873D+02  0.247944D+02
      6  -0.374417D+01 -0.117086D+01  0.239822D+01  0.110504D+02  0.754393D+01
               101           102           103           104           105 
      1   0.148209D+02  0.130559D+02  0.676329D+01  0.705577D+01  0.107524D+01
      2  -0.354630D+01 -0.813560D+01 -0.893864D-01  0.483656D+00 -0.112553D+01
      3  -0.112746D+02 -0.492026D+01 -0.667390D+01 -0.753943D+01  0.502846D-01
      4   0.209050D+02  0.757934D+01  0.157116D+02  0.761861D+01  0.265205D+01
      5   0.637634D+01  0.150950D+02  0.325590D+01  0.208215D+01  0.243137D+01
      6   0.452848D+01  0.441761D+01  0.315081D+01  0.611476D+00  0.294306D+01
               106           107           108           109           110 
      1   0.334977D+01  0.858118D+00  0.481670D+01  0.591813D+00  0.567064D+01
      2  -0.286023D+01 -0.221786D+01 -0.453138D+01 -0.223335D+01 -0.338467D+01
      3  -0.489542D+00  0.135975D+01 -0.285319D+00  0.164153D+01 -0.228597D+01
      4   0.244035D+01  0.222646D+00  0.517646D+01  0.197877D+01 -0.196114D+01
      5   0.113441D+02  0.425453D+01  0.660178D+01  0.270389D+01 -0.239254D-01
      6   0.313797D+01  0.273934D+01  0.332859D+01  0.348282D+01 -0.339973D+01
               111           112           113           114           115 
      1   0.102801D+02  0.275260D+01 -0.721532D+01 -0.455261D+01  0.789759D+01
      2   0.107924D+00 -0.190098D+01  0.334388D+01  0.175696D+01 -0.364767D+01
      3  -0.103880D+02 -0.851622D+00  0.387144D+01  0.279565D+01 -0.424992D+01
      4   0.107618D+01  0.187462D+01  0.190233D+01  0.367651D+01  0.379400D+01
      5  -0.386615D+01  0.164821D+01  0.252366D+01  0.552043D+01  0.513699D+01
      6  -0.600394D+01 -0.766031D+00  0.579118D+01  0.104229D+02  0.558308D+00
               116           117           118           119           120 
      1  -0.736246D+01 -0.229713D+02  0.579679D+00 -0.249779D+00 -0.212713D+01
      2   0.158532D+01 -0.883471D+01 -0.402226D+01 -0.544932D-01 -0.115886D+00
      3   0.577714D+01  0.318060D+02  0.344258D+01  0.304272D+00  0.224301D+01
      4   0.839895D+01  0.771411D+01 -0.126657D+01  0.260748D+01  0.378449D+00
      5   0.892315D+01  0.285622D+02 -0.529093D+00  0.134913D+01  0.635860D+01
      6   0.115848D+02  0.215879D+02  0.136972D+01  0.237463D+00 -0.412796D-01
               121           122           123           124           125 
      1   0.911787D+00 -0.644454D+01 -0.539365D+01 -0.126809D+01 -0.252702D+01
      2  -0.608523D+00  0.203089D+01 -0.220499D+01  0.131253D+01 -0.254822D+01
      3  -0.303264D+00  0.441366D+01  0.759864D+01 -0.444388D-01  0.507523D+01
      4   0.220165D+01 -0.248620D+01 -0.215521D+01  0.769140D-01 -0.311538D+01
      5   0.209497D+01 -0.233221D+01 -0.323863D+01  0.572788D+01 -0.232718D+01
      6  -0.139094D+00  0.238445D+01  0.672493D+01 -0.560861D+00  0.604813D+01
               126           127           128           129           130 
      1  -0.236110D+02 -0.738863D+01  0.190271D+02  0.674293D+00  0.105629D+02
      2  -0.122979D+02  0.967417D+01 -0.271559D+02 -0.140072D+01 -0.134822D+02
      3   0.359089D+02 -0.228554D+01  0.812882D+01  0.726429D+00  0.291922D+01
      4  -0.397232D+01 -0.503283D+01  0.223356D+01 -0.686497D+00  0.632957D+01
      5  -0.118101D+02  0.544966D+00 -0.894203D+00  0.148067D+01 -0.942652D+00
      6   0.212185D+01  0.186367D+00  0.268461D+00 -0.234768D+01  0.238580D+00
               131           132           133           134           135 
      1  -0.345467D+02 -0.361459D+00  0.379268D+01 -0.624686D+01 -0.406949D+01
      2   0.535616D+02  0.150102D+01 -0.343736D+01  0.964141D+01  0.485857D+01
      3  -0.190149D+02 -0.113956D+01 -0.355312D+00 -0.339455D+01 -0.789073D+00
      4   0.845243D+01 -0.402747D+00  0.387512D+00  0.141300D+01  0.209327D+01
      5   0.262344D+00  0.246003D+01  0.354860D+01  0.255081D+01  0.111634D-01
      6  -0.910777D+00  0.758232D+01  0.686070D+00  0.818568D+01  0.163870D+01
               136           137           138           139           140 
      1   0.114146D+02  0.104081D+01 -0.210712D+01  0.325400D+01 -0.535106D+01
      2  -0.489403D+01  0.211072D+01  0.733952D+00 -0.741378D+00  0.936485D+01
      3  -0.652057D+01 -0.315152D+01  0.137317D+01 -0.251262D+01 -0.401379D+01
      4   0.166418D+02  0.138955D+02 -0.110864D+02  0.999937D+01  0.111829D+02
      5  -0.164760D+02 -0.950783D+01  0.173976D+02 -0.542152D+01 -0.854255D+01
      6  -0.100418D+02 -0.892363D+01  0.120093D+02 -0.632973D+01 -0.989136D+01
               141           142           143           144           145 
      1   0.263224D+01 -0.203614D+00  0.632841D+01 -0.599574D+01  0.149958D+02
      2  -0.399238D+01 -0.788445D+00 -0.730971D+01 -0.240457D+01 -0.102628D+02
      3   0.136013D+01  0.992059D+00  0.981299D+00  0.840031D+01 -0.473299D+01
      4  -0.882136D+01 -0.164669D+02 -0.152848D+02  0.148983D+02 -0.239376D+02
      5   0.762479D+01  0.202295D+02  0.135890D+02 -0.246943D+02  0.260511D+02
      6   0.955861D+01  0.148537D+02  0.163578D+02 -0.223105D+02 -0.128862D+02
               146           147           148           149           150 
      1  -0.880068D+00  0.179021D+01 -0.951394D+00 -0.337902D+01  0.180210D+01
      2  -0.152336D+01 -0.620658D+01 -0.610492D+00  0.713034D+01 -0.117515D+01
      3   0.240343D+01  0.441637D+01  0.156189D+01 -0.375132D+01 -0.626942D+00
      4   0.186797D+02 -0.160334D+02  0.129536D+02 -0.135023D+02  0.972735D+01
      5  -0.137681D+02  0.235715D+02 -0.872973D+01  0.868103D+01 -0.831834D+01
      6   0.127371D+02 -0.141968D+02  0.851651D+01 -0.103767D+02  0.998625D+01
               151           152           153           154           155 
      1   0.385030D+01  0.206097D+01 -0.342157D+01 -0.614722D+01 -0.108546D+02
      2  -0.588413D+01 -0.177380D+00 -0.748205D+01  0.751086D+01  0.166131D+02
      3   0.203383D+01 -0.188359D+01  0.109036D+02 -0.136363D+01 -0.575854D+01
      4  -0.136508D+02  0.105126D+02 -0.128938D+02  0.217086D+01  0.273084D+01
      5   0.194336D+02 -0.111614D+02  0.218716D+02 -0.112617D+01 -0.430661D+01
      6  -0.107803D+02  0.113896D+02 -0.157186D+02 -0.138669D+01 -0.184337D+01
               156           157           158           159           160 
      1   0.985112D+00 -0.670841D+01 -0.244373D+02 -0.105268D+01 -0.227110D+01
      2   0.223430D+01  0.100769D+02  0.405999D+02  0.532240D+01  0.362426D+01
      3  -0.321942D+01 -0.336849D+01 -0.161626D+02 -0.426971D+01 -0.135316D+01
      4  -0.119510D+01  0.509888D+01 -0.910102D+01  0.760359D+00  0.401815D+00
      5   0.647852D+00 -0.454200D+01 -0.467439D+01 -0.402427D+01  0.615882D+00
      6   0.210470D+01 -0.341190D+00 -0.615332D+01  0.640060D+01  0.331021D+00
               161           162           163           164           165 
      1  -0.917809D+01 -0.318719D+01 -0.674185D+01 -0.264487D+01  0.109635D+02
      2   0.148848D+02  0.429128D+01 -0.452313D+01  0.608708D+01  0.441512D+01
      3  -0.570668D+01 -0.110408D+01  0.112650D+02 -0.344222D+01 -0.153786D+02
      4  -0.359571D+01 -0.929089D+00  0.648539D+01 -0.144717D+01 -0.547181D+01
      5  -0.325995D+01 -0.209563D+01 -0.424400D+01 -0.812376D+00  0.271851D+01
      6   0.357737D+01  0.389508D+01 -0.206361D+01 -0.272621D+01  0.414711D+01
               166           167           168           169           170 
      1   0.179923D+01 -0.263898D+01 -0.659592D+01  0.823767D+01 -0.191110D+01
      2   0.352932D+01  0.544480D-01 -0.207203D+01  0.419587D+01 -0.205828D+01
      3  -0.532856D+01  0.258453D+01  0.866795D+01 -0.124335D+02  0.396939D+01
      4  -0.245790D+01  0.282433D+01  0.167861D+01 -0.717797D+01  0.258271D+01
      5   0.264094D+00 -0.872377D+00  0.205123D+01  0.562444D+01 -0.143197D+01
      6  -0.194402D+01  0.315790D+01  0.905665D+00  0.135687D+01  0.413889D+01
               171           172           173           174           175 
      1  -0.149818D+02 -0.301998D+01 -0.121162D+02 -0.532129D+01 -0.971637D+01
      2  -0.871638D+01  0.302767D+01  0.100434D+02  0.278480D+01  0.393895D+01
      3   0.236982D+02 -0.768626D-02  0.207279D+01  0.253649D+01  0.577741D+01
      4   0.417537D+01 -0.757083D+00 -0.411356D+01 -0.425848D+01  0.811519D+01
      5   0.221927D+01  0.206800D+01 -0.352472D+01 -0.282564D+01  0.242956D+01
      6  -0.623105D+01  0.150434D+01  0.666004D+01  0.537214D+01 -0.559205D+00
               176           177           178           179           180 
      1  -0.217476D+02 -0.132746D+02 -0.294296D+01 -0.138609D+02 -0.991702D+01
      2   0.258598D+02  0.930486D+01  0.224107D+01  0.997629D+01  0.301989D+01
      3  -0.411223D+01  0.396973D+01  0.701890D+00  0.388457D+01  0.689713D+01
      4  -0.284616D+02 -0.132511D+02  0.510335D+00 -0.133542D+02 -0.909758D+01
      5  -0.133319D+02 -0.108942D+02  0.470082D+01 -0.912929D+01 -0.131119D+02
      6   0.200514D+02  0.149973D+02 -0.141000D+00  0.143544D+02  0.128295D+02
               181           182           183           184           185 
      1   0.685213D+02 -0.178224D+02  0.128915D+02 -0.163455D+02  0.828961D+01
      2  -0.277062D+02  0.286504D+01 -0.346042D+01  0.179003D+01  0.156547D+01
      3  -0.408151D+02  0.149574D+02 -0.943105D+01  0.145555D+02 -0.985508D+01
      4  -0.357170D+02  0.206692D+02 -0.820267D+01  0.214971D+02 -0.166657D+02
      5   0.783744D+01 -0.396282D+01  0.129174D+02 -0.361411D+01  0.115947D+01
      6  -0.326898D+01  0.133469D+01 -0.387543D+01  0.127773D+01  0.198879D+00
               186           187           188           189           190 
      1  -0.524466D+01  0.306511D+02 -0.955713D+01  0.106281D+02  0.184601D+02
      2   0.143132D+01 -0.108187D+02  0.181620D+01 -0.501835D+01 -0.128137D+02
      3   0.381335D+01 -0.198324D+02  0.774093D+01 -0.560971D+01 -0.564643D+01
      4   0.361305D+01 -0.198419D+02  0.118241D+02 -0.688569D+01  0.207825D+01
      5  -0.320312D+01  0.128620D+02 -0.416471D+01  0.116305D+02 -0.133741D+02
      6   0.379321D+01 -0.432687D+01  0.354355D+01 -0.475857D+01 -0.124689D+01
               191           192           193           194           195 
      1   0.430968D+01 -0.849110D+01  0.143926D+02  0.288428D+01 -0.880885D+01
      2  -0.460976D+01  0.986370D+01 -0.113905D+02 -0.448107D+01  0.123770D+02
      3   0.300085D+00 -0.137261D+01 -0.300206D+01  0.159679D+01 -0.356817D+01
      4   0.603692D+01 -0.560640D+01  0.545658D+01  0.134088D+02 -0.891210D+01
      5  -0.788494D+01  0.149686D+02 -0.150428D+02 -0.106442D+02  0.180677D+02
      6  -0.331509D+00  0.968511D-01 -0.238078D+00 -0.365369D+01  0.283354D+01
               196           197           198           199           200 
      1  -0.119059D+02 -0.617127D+01  0.730751D+01 -0.144342D+00 -0.161614D+01
      2   0.136184D+02  0.951684D+01 -0.182384D+02  0.153488D+01  0.144650D+01
      3  -0.171247D+01 -0.334558D+01  0.109309D+02 -0.139054D+01  0.169640D+00
      4  -0.509322D+01 -0.108063D+02  0.682051D+01 -0.847302D+00  0.116335D+01
      5   0.211783D+02  0.101662D+02 -0.313898D+02 -0.332653D+01  0.949704D+00
      6  -0.537890D+00  0.502636D+01  0.719083D+00  0.558528D+00  0.565072D-01
               201           202           203           204           205 
      1  -0.204844D+01 -0.240731D+01 -0.920427D+00 -0.454646D+01 -0.391885D+01
      2   0.170804D+01 -0.122882D+01  0.122039D+01  0.238153D+01  0.308417D+01
      3   0.340402D+00  0.363613D+01 -0.299962D+00  0.216493D+01  0.834683D+00
      4   0.174385D+01  0.924546D+00 -0.100427D+01 -0.222622D+01  0.238021D+01
      5   0.349030D+01  0.574436D+00 -0.704727D+00 -0.205680D+01  0.371358D+01
      6  -0.237709D+00 -0.768799D+00  0.344091D+01  0.309040D+01 -0.476012D-01
               206           207           208           209           210 
      1  -0.522441D+01 -0.788987D+01  0.334730D+00  0.115843D+01  0.269217D+01
      2   0.420450D+01  0.135480D+01 -0.220394D+01 -0.615130D+00 -0.762101D+00
      3   0.101991D+01  0.653506D+01  0.186921D+01 -0.543300D+00 -0.193007D+01
      4  -0.215789D+01 -0.391852D+01  0.161302D+01  0.188069D+01  0.186177D+01
      5  -0.321895D+01 -0.688608D+01  0.297095D+01  0.218146D+01  0.622656D+01
      6   0.438171D+01  0.651772D+01  0.204918D+01 -0.456739D-01  0.589928D+00
               211           212           213           214           215 
      1   0.245663D+01 -0.631738D+01 -0.801745D+01  0.353720D+01 -0.760748D+01
      2  -0.339594D+01  0.170439D+01 -0.366148D+00 -0.292348D+01  0.111254D+01
      3   0.939309D+00  0.461299D+01  0.838360D+01 -0.613717D+00  0.649493D+01
      4  -0.351204D+00  0.344871D+01  0.397500D+01  0.240927D+01  0.449198D+01
      5   0.323443D+01  0.483576D+01  0.847422D+01  0.509044D+01  0.651133D+01
      6  -0.644263D+00  0.534537D+01  0.661825D+01  0.154407D+01  0.816572D+01
               216           217           218           219           220 
      1  -0.237092D+02  0.268485D+01 -0.799157D+01 -0.586699D+01 -0.108648D+02
      2  -0.649569D+01  0.111316D+00  0.646490D+01  0.154141D+01  0.553204D+01
      3   0.302049D+02 -0.279616D+01  0.152668D+01  0.432558D+01  0.533281D+01
      4   0.538354D+01 -0.259128D+01 -0.358789D+01 -0.137182D+01  0.642095D+01
      5   0.220849D+02 -0.829265D+00  0.195415D+00 -0.415868D+01  0.762996D+01
      6   0.924853D+01  0.180496D+01  0.378861D+01  0.177022D+01 -0.135295D+01
               221           222           223           224           225 
      1  -0.202770D+02 -0.400842D+01 -0.402965D+01 -0.283772D+01 -0.667953D+01
      2   0.272372D+02  0.239145D+01  0.195584D+01  0.102339D+00  0.213040D+01
      3  -0.696024D+01  0.161697D+01  0.207381D+01  0.273538D+01  0.454913D+01
      4  -0.426754D+02 -0.106133D+02 -0.111967D+01 -0.276189D+01 -0.362150D+01
      5  -0.820870D+01 -0.117605D+02  0.983536D+00 -0.345070D+01 -0.369874D+01
      6   0.194066D+02  0.100374D+02  0.801506D-01  0.656131D+01  0.248460D+01
               226           227           228           229           230 
      1  -0.534371D+01  0.621659D+01 -0.158433D+02  0.837502D+01 -0.112563D+02
      2  -0.592392D+00 -0.114106D+01 -0.365407D+00 -0.393695D+01  0.423367D+01
      3   0.593610D+01 -0.507553D+01  0.162087D+02 -0.443808D+01  0.702265D+01
      4   0.378981D+01 -0.575045D+01  0.135681D+01 -0.143655D+01  0.474694D+01
      5  -0.215142D+00 -0.148091D+00 -0.958627D+01 -0.313242D+01 -0.645802D+01
      6  -0.261890D+01  0.452242D+01 -0.264471D+01  0.193086D+01 -0.550260D+01
               231           232           233           234           235 
      1   0.889428D+01 -0.162870D+02  0.715645D+01 -0.219818D+02  0.816117D+02
      2   0.342219D+01  0.563036D+01  0.139721D+01 -0.727683D+01 -0.458644D+02
      3  -0.123165D+02  0.106566D+02 -0.855365D+01  0.292587D+02 -0.357473D+02
      4  -0.812835D+01  0.345792D+01 -0.853800D+01  0.696905D+01 -0.763065D+01
      5   0.127652D+02  0.249339D+01  0.561884D+01 -0.225412D+02 -0.434926D+02
      6   0.877513D+01 -0.175149D+01  0.692144D+01 -0.608063D+01  0.650692D-01
               236           237           238           239           240 
      1  -0.983448D+00 -0.217699D+02  0.573371D+01  0.592144D+01 -0.144153D+01
      2  -0.309595D+00  0.162934D+02 -0.337648D+01 -0.200822D+01  0.212830D+01
      3   0.129304D+01  0.547652D+01 -0.235723D+01 -0.391322D+01 -0.686772D+00
      4   0.124560D+02  0.212645D+01  0.102513D+02 -0.122343D+01 -0.429922D+01
      5   0.542268D+00  0.253555D+02 -0.366631D+01 -0.530656D+01  0.364910D+01
      6  -0.408372D+01 -0.980503D+00 -0.342999D+01  0.369278D+00  0.274658D+01
               241           242           243 
      1  -0.114734D+02  0.281163D+00  0.850960D+01
      2   0.101938D+02  0.618545D+00 -0.893587D+01
      3   0.127968D+01 -0.899708D+00  0.426278D+00
      4   0.808618D+00 -0.247793D+01  0.428739D+00
      5   0.172887D+02  0.951720D+00 -0.123836D+02
      6  -0.130960D+01  0.218059D+01 -0.130187D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.146430D+01      0.372188D+01      0.124149D+02
   y          0.466288D+00      0.118519D+01      0.395335D+01
   z          0.648282D+00      0.164777D+01      0.549637D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.160415D+03      0.237711D+02      0.264489D+02
   yx         0.622842D+01      0.922956D+00      0.102693D+01
   yy         0.104663D+03      0.155094D+02      0.172565D+02
   zx         0.405451D+01      0.600816D+00      0.668498D+00
   zy         0.409679D+01      0.607081D+00      0.675469D+00
   zz         0.107452D+03      0.159228D+02      0.177165D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132412D+03      0.196214D+02      0.218318D+02
   aniso      0.615484D+02      0.912053D+01      0.101480D+02
   xx         0.171808D+03      0.254593D+02      0.283273D+02
   yx         0.713723D+01      0.105763D+01      0.117677D+01
   yy         0.111182D+03      0.164754D+02      0.183314D+02
   zx         0.515176D+01      0.763412D+00      0.849410D+00
   zy         0.434458D+01      0.643801D+00      0.716325D+00
   zz         0.114247D+03      0.169296D+02      0.188367D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.27836191         -3.61710130          2.61046671
     6          1.50951590         -1.44398806          3.17764798
     6          1.77072531          0.70961947          1.11459093
     6         -0.32890338          0.86031149         -0.73141950
     6         -0.06501574          0.70888235         -3.23649688
     6         -2.14640079          0.84296564         -5.08775533
     8         -1.69388729          0.66987955         -7.33592982
     6          4.11513983         -2.44159599          3.89381125
     6          0.56016011          0.58879065          5.07141817
     6          1.55925238          2.67737994          3.29639630
     6         -4.83217440          1.18934480         -4.15633898
     1          1.34309249          0.50964838          6.97579973
     1         -1.49629311          0.60526589          5.21509600
     1          3.57383253          0.67817144          0.11660387
     1          0.31849597          4.28234775          2.94631595
     1          3.40403005          3.39551635          3.85696480
     1         -0.42718505         -4.86371366          4.25049697
     1          0.39998526         -4.74254338          1.01799543
     1         -2.17620762         -2.95726272          2.15202005
     1          4.91709408         -3.56395206          2.35761727
     1          3.99411432         -3.64399252          5.56831993
     1          5.42972759         -0.90739559          4.31140581
     1         -2.20827758          1.11578711          0.05396006
     1          1.78910303          0.46224388         -4.07681973
     1         -5.01717245          2.93836448         -3.07718033
     1         -5.38487775         -0.36572568         -2.91735034
     1         -6.09195916          1.25054972         -5.77772562

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.166789D+01      0.423937D+01      0.141410D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.114975D+03      0.170376D+02      0.189569D+02
   yx        -0.395703D+01     -0.586371D+00     -0.652426D+00
   yy         0.102783D+03      0.152309D+02      0.169467D+02
   zx         0.169253D+02      0.250808D+01      0.279061D+01
   zy        -0.419275D+01     -0.621302D+00     -0.691292D+00
   zz         0.154771D+03      0.229347D+02      0.255183D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132412D+03      0.196214D+02      0.218318D+02
   aniso      0.615484D+02      0.912053D+01      0.101480D+02
   xx         0.121748D+03      0.180412D+02      0.200736D+02
   yx        -0.402201D+01     -0.596000D+00     -0.663140D+00
   yy         0.109151D+03      0.161745D+02      0.179965D+02
   zx         0.179736D+02      0.266341D+01      0.296344D+01
   zy        -0.454404D+01     -0.673358D+00     -0.749212D+00
   zz         0.166337D+03      0.246486D+02      0.274253D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-32\Freq\RLC-PBEPBE\Gen\C10H16O1\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=03000000
 00,3/108=0300000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
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 ABALONE: AN EXPRESSION OF DISBELIEF.
 Job cpu time:       0 days  9 hours 22 minutes 41.7 seconds.
 Elapsed time:       0 days  1 hours 10 minutes 31.5 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 22:34:50 2021.
